Geometry & MOs

Info

ID:	273976
PubChem CID:	103806231
Reduced:	OSN3C14H17 (1)
Stoich.:	ABC3D14E17 (1)
Weight, g/mol:	399.98394
ΔH_f, kcal/mol:	-4.54
Dipole, Da:	3.19
IP(EA), eV:	-9.26(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-(aminomethyl)phenyl]methyl]-3-chloro-4-iodobenzamide

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C)C(=O)NCC2=CC=CC=C2CN

DOS

IR

Vibrations