Geometry & MOs

Info

ID:	418210
PubChem CID:	135103876
Reduced:	N3O3C19H27 (1)
Stoich.:	A3B3C19D27 (1)
Weight, g/mol:	337.144471
ΔH_f, kcal/mol:	-130.22
Dipole, Da:	5.82
IP(EA), eV:	-9.83(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-1-[(4-chloro-2-methylphenyl)methyl]-3-(cyclopropylmethyl)-4-hydroxypiperidine-3-carboxylic acid

Drug info:

PubChemData

Smile

C1CCC(C1)NC(=O)CCC(=O)N[C@H]2COC[C@H]2CC3=CC=NC=C3

DOS

IR

Vibrations