Geometry & MOs

Info

ID:	29889
PubChem CID:	838041
Reduced:	ClNO4C17H18 (1)
Stoich.:	ABC4D17E18 (1)
Weight, g/mol:	271.193614
ΔH_f, kcal/mol:	-127.57
Dipole, Da:	10.15
IP(EA), eV:	-8.51(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(cyclohexen-1-yl)ethyl]-4-phenylbutanamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2OC)OC)OC)Cl

DOS

IR

Vibrations