Geometry & MOs

Info

ID:	277072
PubChem CID:	103826597
Reduced:	BrClON2C15H22 (1)
Stoich.:	ABCD2E15F22 (1)
Weight, g/mol:	317.97707
ΔH_f, kcal/mol:	-42.07
Dipole, Da:	4.65
IP(EA), eV:	-9.0(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-amino-4-oxobutyl)-3-bromo-5-chlorobenzamide

Drug info:

PubChemData

Smile

CC(C)CN(CCN(C)C)C(=O)C1=CC(=CC(=C1)Br)Cl

DOS

IR

Vibrations