Geometry & MOs

Info

ID:	274134
PubChem CID:	103807252
Reduced:	ON4C15H20 (1)
Stoich.:	AB4C15D20 (1)
Weight, g/mol:	392.01524
ΔH_f, kcal/mol:	1.17
Dipole, Da:	1.97
IP(EA), eV:	-9.15(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(aminomethyl)cyclohexyl]-5-chloro-2-iodobenzamide

Drug info:

PubChemData

Smile

C1CCC(C(C1)CN)NC(=O)C2=C3C=CC=CN3N=C2

DOS

IR

Vibrations