Geometry & MOs

Info

ID:	419868
PubChem CID:	135109454
Reduced:	N3O3C14H21 (1)
Stoich.:	A3B3C14D21 (1)
Weight, g/mol:	312.150764
ΔH_f, kcal/mol:	-114.99
Dipole, Da:	2.73
IP(EA), eV:	-9.34(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(CCOC2(C1)CCN(CC2)C(=O)C3=CNN=C3)O

DOS

IR

Vibrations