Geometry & MOs

Info

ID:	416311
PubChem CID:	135089324
Reduced:	ON2C10H13 (2)
Stoich.:	AB2C10D13 (2)
Weight, g/mol:	360.150764
ΔH_f, kcal/mol:	-16.38
Dipole, Da:	1.36
IP(EA), eV:	-8.65(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S)-4-benzyl-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-hydroxypiperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(C(=O)NC(C1CC1)C2=NC=NN2C)OC3=CC4=C(CCC4)C=C3

DOS

IR

Vibrations