Geometry & MOs

Info

ID:	438778
PubChem CID:	135228534
Reduced:	NOC22H35 (1)
Stoich.:	ABC22D35 (1)
Weight, g/mol:	345.230394
ΔH_f, kcal/mol:	-86.71
Dipole, Da:	3.04
IP(EA), eV:	-9.4(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(CNC(=O)C1CC(CCC1C(C)C)(C)C)C2=CC=CC=C2

DOS

IR

Vibrations