Geometry & MOs

Info

ID:

311849

PubChem CID:

126598381

Reduced:

N2H50C57 (1)

Stoich.:

A2B50C57 (1)

Weight, g/mol:

635.3552

ΔHf, kcal/mol:

168.04

Dipole, Da:

1.12

IP(EA), eV:

 -8.01(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

14-(3,5-diphenylphenyl)-10,10,18,18,19,19,20,20-octamethyl-14-azahexacyclo[11.10.0.03,11.04,9.015,23.017,21]tricosa-1,3(11),4,6,8,12,15,17(21),22-nonaene

Drug info:

PubChemData

Smile

CC1(C2=C(C=C3C(=C2)C4=CC=CC=C4N3C5=CC=C(C=C5)C6=CC=C(C=C6)N(C7=CC=C(C=C7)C8=CC=CC=C8)C9=CC=C(C=C9)C2=CC=CC=C2)C(C1(C)C)(C)C)C

DOS

IR

Vibrations