Geometry & MOs

Info

ID:	438781
PubChem CID:	135228538
Reduced:	NO3C21H31 (1)
Stoich.:	AB3C21D31 (1)
Weight, g/mol:	331.251129
ΔH_f, kcal/mol:	-142.54
Dipole, Da:	3.47
IP(EA), eV:	-8.7(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-hydroxy-2-phenylpropyl)-5,5-dimethyl-2-propan-2-ylcyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)C1CCC(CC1C(=O)NCCC2=CC3=C(C=C2)OCO3)(C)C

DOS

IR

Vibrations