Geometry & MOs

Info

ID:	277405
PubChem CID:	103828294
Reduced:	O2N3C16H21 (1)
Stoich.:	A2B3C16D21 (1)
Weight, g/mol:	435.92834
ΔH_f, kcal/mol:	-67.06
Dipole, Da:	5.0
IP(EA), eV:	-8.94(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-(2-cyanoethyl)-2-iodo-N-(2-methoxyethyl)benzamide

Drug info:

PubChemData

Smile

CC(C)CC(CNC(=O)C1=NC2=CC=CC=C2C(=C1)N)O

DOS

IR

Vibrations