Geometry & MOs

Info

ID:	267595
PubChem CID:	103582924
Reduced:	BrClN3C15H17 (1)
Stoich.:	ABC3D15E17 (1)
Weight, g/mol:	368.00395
ΔH_f, kcal/mol:	48.59
Dipole, Da:	3.09
IP(EA), eV:	-8.48(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-aminophenyl)methyl-(5-bromo-3-chloropyridin-2-yl)amino]acetamide

Drug info:

PubChemData

Smile

CCCN(CC1=CC=CC=C1N)C2=C(C=C(C=N2)Br)Cl

DOS

IR

Vibrations