Geometry & MOs

Info

ID:

314455

PubChem CID:

126621856

Reduced:

SN2H46C64 (1)

Stoich.:

AB2C46D64 (1)

Weight, g/mol:

844.38175

ΔHf, kcal/mol:

230.89

Dipole, Da:

2.3

IP(EA), eV:

 -7.89(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-(9,9-dimethyl-22-phenyl-22-azahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaen-18-yl)phenyl]-9,9-dimethyl-N-(3-phenylphenyl)fluoren-2-amine

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C4=CC5=C(C=C4C=C3)C6=C(N5C7=CC=CC=C7)C=CC(=C6)C8=CC9=C(C=C8)C1=C(C9(C)C)C=C(C=C1)N(C1=CC=CC=C1)C1=CC2=C(C=C1)C1=CC=CC=C1S2)C

DOS

IR

Vibrations