Geometry & MOs

Info

ID:	438680
PubChem CID:	135228430
Reduced:	NO3C20H31 (1)
Stoich.:	AB3C20D31 (1)
Weight, g/mol:	317.235479
ΔH_f, kcal/mol:	-162.85
Dipole, Da:	3.53
IP(EA), eV:	-8.69(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxy-2-phenylethyl)-5,5-dimethyl-2-propan-2-ylcyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)C1CCC(CC1C(=O)NCCC2=CC(=C(C=C2)O)O)(C)C

DOS

IR

Vibrations