Geometry & MOs

Info

ID:	418303
PubChem CID:	135104143
Reduced:	N3O3C17H25 (1)
Stoich.:	A3B3C17D25 (1)
Weight, g/mol:	381.194008
ΔH_f, kcal/mol:	-80.55
Dipole, Da:	3.67
IP(EA), eV:	-8.34(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-4-hydroxy-1-[4-(2-methylphenyl)benzoyl]-3-propylpiperidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)CN(CCO)CC2=CN=C(N2)C)OC

DOS

IR

Vibrations