Geometry & MOs

Info

ID:	274771
PubChem CID:	103811557
Reduced:	ClON3C11H16 (1)
Stoich.:	ABC3D11E16 (1)
Weight, g/mol:	281.12949
ΔH_f, kcal/mol:	-38.08
Dipole, Da:	6.5
IP(EA), eV:	-8.8(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(aminomethyl)-N-(6-chloro-5-methylpyridin-3-yl)cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CN=C1Cl)NC(=O)C(C)CNC

DOS

IR

Vibrations