Geometry & MOs

Info

ID:	416403
PubChem CID:	135089416
Reduced:	ON2C12H16 (2)
Stoich.:	AB2C12D16 (2)
Weight, g/mol:	378.194343
ΔH_f, kcal/mol:	-50.3
Dipole, Da:	5.0
IP(EA), eV:	-8.62(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3R,4R)-1-benzoyl-3-hydroxypiperidin-4-yl]-1-(4-methylphenyl)cyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)CCC(=O)N2CCCC3(C2)CCC4=CN=C(N=C34)N(C)C)OC

DOS

IR

Vibrations