Geometry & MOs

Info

ID:	351485
PubChem CID:	127280373
Reduced:	N3O3C21H29 (1)
Stoich.:	A3B3C21D29 (1)
Weight, g/mol:	368.196074
ΔH_f, kcal/mol:	-87.34
Dipole, Da:	6.01
IP(EA), eV:	-9.02(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(C1)CC(=O)N2CCN(CC2)C(=O)C3=CC=CC=C3OCC4CC4

DOS

IR

Vibrations