Geometry & MOs

Info

ID:	273883
PubChem CID:	103805613
Reduced:	O2N3C13H17 (1)
Stoich.:	A2B3C13D17 (1)
Weight, g/mol:	399.98394
ΔH_f, kcal/mol:	-66.82
Dipole, Da:	2.27
IP(EA), eV:	-8.94(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-4-iodo-N-[3-(methylaminomethyl)phenyl]benzamide

Drug info:

PubChemData

Smile

CNCC1=CC(=CC=C1)NC(=O)[C@@H]2CCC(=O)N2

DOS

IR

Vibrations