Geometry & MOs

Info

ID:	351554
PubChem CID:	127280446
Reduced:	ON2C6H8 (3)
Stoich.:	AB2C6D8 (3)
Weight, g/mol:	369.191323
ΔH_f, kcal/mol:	-60.52
Dipole, Da:	6.13
IP(EA), eV:	-8.95(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-pyrrolidin-1-yl-1-[4-[6-(1,2,4-triazol-1-yl)pyridine-3-carbonyl]piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CCN(C1)CC(=O)N2CCN(CC2)C(=O)CN3C(=O)N4C=CC=CC4=N3

DOS

IR

Vibrations