Geometry & MOs

Info

ID:	279135
PubChem CID:	103841617
Reduced:	BrClON2C16H16 (1)
Stoich.:	ABCD2E16F16 (1)
Weight, g/mol:	373.01927
ΔH_f, kcal/mol:	4.67
Dipole, Da:	4.95
IP(EA), eV:	-8.77(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-bromo-4-chlorobenzamide

Drug info:

PubChemData

Smile

CN(C)CC1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)Cl)Br

DOS

IR

Vibrations