Geometry & MOs

Info

ID:

314463

PubChem CID:

126621866

Reduced:

N2H46C65 (1)

Stoich.:

A2B46C65 (1)

Weight, g/mol:

702.303499

ΔHf, kcal/mol:

254.45

Dipole, Da:

0.84

IP(EA), eV:

 -7.91(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9,9-dimethyl-N-naphthalen-2-yl-22-phenyl-N-(4-phenylphenyl)-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-amine

Drug info:

PubChemData

Smile

CC1(C2=C(C3=CC=CC=C31)C4=CC5=C(C=C4C=C2)C6=C(N5C7=CC=CC=C7)C=CC(=C6)C8=CC=CC(=C8)C9=CC=C(C=C9)N(C1=CC=C(C=C1)C1=CC=CC=C1)C1=CC2=CC=CC=C2C=C1)C

DOS

IR

Vibrations