Geometry & MOs

Info

ID:	275067
PubChem CID:	103813598
Reduced:	ON3C13H25 (1)
Stoich.:	AB3C13D25 (1)
Weight, g/mol:	271.14331
ΔH_f, kcal/mol:	-72.14
Dipole, Da:	2.58
IP(EA), eV:	-8.73(1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(CN1CCCCC1)NC(=O)[C@H]2CCCN2

DOS

IR

Vibrations