Geometry & MOs

Info

ID:	415180
PubChem CID:	135088171
Reduced:	N3O4C20H25 (1)
Stoich.:	A3B4C20D25 (1)
Weight, g/mol:	337.144471
ΔH_f, kcal/mol:	-98.9
Dipole, Da:	2.57
IP(EA), eV:	-8.8(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=C(C(=NO2)N3CCCC3)C(=O)N4CCC(CC4)O

DOS

IR

Vibrations