Geometry & MOs

Info

ID:	414935
PubChem CID:	135087915
Reduced:	N3O4C21H23 (1)
Stoich.:	A3B4C21D23 (1)
Weight, g/mol:	381.194008
ΔH_f, kcal/mol:	-87.4
Dipole, Da:	5.18
IP(EA), eV:	-9.01(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=O)C2=CC=CC=C2N1CC(=O)N3C[C@H]([C@H](C3)O)CC4=CC(=NO4)C

DOS

IR

Vibrations