Geometry & MOs

Info

ID:	414608
PubChem CID:	135087567
Reduced:	N3O3C20H21 (1)
Stoich.:	A3B3C20D21 (1)
Weight, g/mol:	320.173607
ΔH_f, kcal/mol:	-66.99
Dipole, Da:	7.53
IP(EA), eV:	-8.8(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S)-1-[(4-carbamoylphenyl)methyl]-3-hydroxy-4-propylpiperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=NC(=O)C=C(N1)CNC(=O)[C@@H](C)C2=CC3=C(C=C2)C=C(C=C3)OC

DOS

IR

Vibrations