Geometry & MOs

Info

ID:

377251

PubChem CID:

134223296

Reduced:

N2H46C47 (1)

Stoich.:

A2B46C47 (1)

Weight, g/mol:

437.07791

ΔHf, kcal/mol:

113.02

Dipole, Da:

1.33

IP(EA), eV:

 -7.78(-0.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-bromo-3,3-dimethyl-19-phenyl-19-azapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2(10),4(9),5,7,11,13,15,17-nonaene

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N(C2=CC=CC=C2)C3=C4C=C(C=CC4=C(C5=C3C=CC(=C5)C(C)C)N(C6=CC=C(C=C6)C)C7=CC=C(C=C7)C)C(C)C

DOS

IR

Vibrations