Geometry & MOs

Info

ID:	351595
PubChem CID:	127280487
Reduced:	ClN3O3C20H26 (1)
Stoich.:	AB3C3D20E26 (1)
Weight, g/mol:	353.185175
ΔH_f, kcal/mol:	-120.03
Dipole, Da:	5.81
IP(EA), eV:	-8.91(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-pyrrolidin-1-yl-1-[4-(quinoxaline-2-carbonyl)piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CCN(C1)CC(=O)N2CCN(CC2)C(=O)C3CC4=C(C=CC(=C4)Cl)OC3

DOS

IR

Vibrations