Geometry & MOs

Info

ID:	423319
PubChem CID:	135119306
Reduced:	NO2C9H12 (2)
Stoich.:	AB2C9D12 (2)
Weight, g/mol:	381.194008
ΔH_f, kcal/mol:	-167.16
Dipole, Da:	4.8
IP(EA), eV:	-9.21(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-4-benzyl-3-hydroxy-1-(4-phenylbutanoyl)piperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1O)C(=O)N2CC[C@]3(CCCN([C@@H]3C2)C)C(=O)O

DOS

IR

Vibrations