Geometry & MOs

Info

ID:	377745
PubChem CID:	134223809
Reduced:	ON2C6H14 (1)
Stoich.:	AB2C6D14 (1)
Weight, g/mol:	270.173213
ΔH_f, kcal/mol:	-44.72
Dipole, Da:	3.03
IP(EA), eV:	-9.02(0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-N-[4-(cyanomethyl)phenyl]-3,3-dimethylcyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)NC(CN)C=O

DOS

IR

Vibrations