Geometry & MOs

Info

ID:	438683
PubChem CID:	135228433
Reduced:	NO2C20H31 (1)
Stoich.:	AB2C20D31 (1)
Weight, g/mol:	315.256215
ΔH_f, kcal/mol:	-116.41
Dipole, Da:	3.95
IP(EA), eV:	-9.52(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-5,5-dimethyl-N-[(2S)-2-phenylpropyl]-2-propan-2-ylcyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)C1CCC(CC1C(=O)NC[C@@H](C2=CC=CC=C2)O)(C)C

DOS

IR

Vibrations