Geometry & MOs

Info

ID:	250102
PubChem CID:	103094141
Reduced:	ClON3C11H16 (1)
Stoich.:	ABC3D11E16 (1)
Weight, g/mol:	281.12949
ΔH_f, kcal/mol:	-35.39
Dipole, Da:	3.78
IP(EA), eV:	-9.3(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(aminomethyl)-N-(3-chloropyridin-2-yl)-4-methylcyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CCCC(CC(=O)NC1=C(C=CC=N1)Cl)N

DOS

IR

Vibrations