Geometry & MOs

Info

ID:	418081
PubChem CID:	135103490
Reduced:	O2N3C17H25 (1)
Stoich.:	A2B3C17D25 (1)
Weight, g/mol:	369.157623
ΔH_f, kcal/mol:	-76.56
Dipole, Da:	5.28
IP(EA), eV:	-9.15(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-4-benzyl-3-hydroxy-1-[4-(hydroxymethyl)benzoyl]piperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

C1CCN(CC1)CC(=O)N2C[C@H]([C@H](C2)O)CC3=CC=NC=C3

DOS

IR

Vibrations