Geometry & MOs

Info

ID:	356699
PubChem CID:	127292180
Reduced:	O2N4C13H24 (1)
Stoich.:	A2B4C13D24 (1)
Weight, g/mol:	357.227709
ΔH_f, kcal/mol:	-106.73
Dipole, Da:	2.52
IP(EA), eV:	-8.85(0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-ethylpiperazin-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

CCN1CCC(CC1)NC(=O)N2CCNC(=O)C2C

DOS

IR

Vibrations