Geometry & MOs

Info

ID:	274143
PubChem CID:	103807320
Reduced:	BrClON2C12H14 (1)
Stoich.:	ABCD2E12F14 (1)
Weight, g/mol:	363.98394
ΔH_f, kcal/mol:	-14.27
Dipole, Da:	3.8
IP(EA), eV:	-9.37(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-amino-1-cyclopropylethyl)-3-chloro-4-iodobenzamide

Drug info:

PubChemData

Smile

C1CC1C(CN)NC(=O)C2=C(C=CC(=C2)Cl)Br

DOS

IR

Vibrations