Geometry & MOs

Info

ID:	163629
PubChem CID:	58106423
Reduced:	N3H21C34 (1)
Stoich.:	A3B21C34 (1)
Weight, g/mol:	444.94999
ΔH_f, kcal/mol:	180.18
Dipole, Da:	4.89
IP(EA), eV:	-8.48(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-benzyl-5-bromophenyl)-4-bromobenzamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC3=CC=CC=C3N2C4=CC=CC(=N4)C5=C6C=CC7=CC=CC8=C7C6=C(C=C8)C=C5

DOS

IR

Vibrations