Geometry & MOs

Info

ID:	438682
PubChem CID:	135228432
Reduced:	NO2C20H31 (1)
Stoich.:	AB2C20D31 (1)
Weight, g/mol:	317.235479
ΔH_f, kcal/mol:	-115.93
Dipole, Da:	3.78
IP(EA), eV:	-9.48(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-2-hydroxy-2-phenylethyl]-5,5-dimethyl-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