Geometry & MOs

Info

ID:

312450

PubChem CID:

126605349

Reduced:

NH9C12 (4)

Stoich.:

AB9C12 (4)

Weight, g/mol:

410.04186

ΔHf, kcal/mol:

215.45

Dipole, Da:

0.22

IP(EA), eV:

 -7.57(-1.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

10-bromo-13-phenyl-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene

Drug info:

PubChemData

Smile

CC1CC(=C2C=CC3=C4C2=C1C=CC4=C(C=C3C)N(C5=CC=CC6=CC=CC=C65)C7=CC=CC=N7)N(C8=CC=CC9=CC=CC=C98)C1=CC=CC=N1

DOS

IR

Vibrations