Geometry & MOs

Info

ID:	415931
PubChem CID:	135088933
Reduced:	O3N5C19H21 (1)
Stoich.:	A3B5C19D21 (1)
Weight, g/mol:	380.213364
ΔH_f, kcal/mol:	-8.59
Dipole, Da:	7.07
IP(EA), eV:	-9.42(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S)-3-hydroxy-1-[[5-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]-4-propylpiperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CNC(=O)C1=NOC(=N1)CN2C[C@H]([C@@H](C2)O)CC3=NC4=CC=CC=C4C=C3

DOS

IR

Vibrations