Geometry & MOs

Info

ID:	438684
PubChem CID:	135228434
Reduced:	NOC21H33 (1)
Stoich.:	ABC21D33 (1)
Weight, g/mol:	331.251129
ΔH_f, kcal/mol:	-80.29
Dipole, Da:	3.49
IP(EA), eV:	-9.32(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-methoxyphenyl)ethyl]-5,5-dimethyl-2-propan-2-ylcyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

C[C@H](CNC(=O)C1CC(CC[C@@H]1C(C)C)(C)C)C2=CC=CC=C2

DOS

IR

Vibrations