Geometry & MOs

Info

ID:	26930
PubChem CID:	804409
Reduced:	NOC15H21 (1)
Stoich.:	ABC15D21 (1)
Weight, g/mol:	231.162314
ΔH_f, kcal/mol:	-56.76
Dipole, Da:	3.68
IP(EA), eV:	-9.48(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-[(1R,2S)-2-methylcyclohexyl]benzamide

Drug info:

PubChemData

Smile

C[C@@H]1CCCC[C@@H]1NC(=O)C2=CC=CC=C2C

DOS

IR

Vibrations