Geometry & MOs

Info

ID:

314458

PubChem CID:

126621861

Reduced:

NH22C29 (2)

Stoich.:

AB22C29 (2)

Weight, g/mol:

728.319149

ΔHf, kcal/mol:

203.79

Dipole, Da:

1.45

IP(EA), eV:

 -7.88(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(3,3-dimethyl-22-phenyl-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-18-yl)-N-phenyl-N-(4-phenylphenyl)aniline

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)N(C9=CC=CC=C9)C1=CC2=C(C=C1)C1=CC=CC=C1C2(C)C)C

DOS

IR

Vibrations