Geometry & MOs

Info

ID:	51227
PubChem CID:	12013867
Reduced:	N2O2H14C19 (1)
Stoich.:	A2B2C14D19 (1)
Weight, g/mol:	434.04186
ΔH_f, kcal/mol:	-16.41
Dipole, Da:	3.65
IP(EA), eV:	-8.38(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

12-(4-bromophenyl)-14-phenyl-5,7-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),5,7,9,11,13-octaene

Drug info:

PubChemData

Smile

CC(=O)NC1=C(C=C2C3=CC=CC=C3C(=O)C4=CC=CC1=C42)N

DOS

IR

Vibrations