Geometry & MOs

Info

ID:	351474
PubChem CID:	127280362
Reduced:	O3N5C21H29 (1)
Stoich.:	A3B5C21D29 (1)
Weight, g/mol:	369.191323
ΔH_f, kcal/mol:	-89.25
Dipole, Da:	9.52
IP(EA), eV:	-8.92(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(C1)CC(=O)N2CCN(CC2)C(=O)C3=CC(=CC=C3)NC(=O)NC4CC4

DOS

IR

Vibrations