Geometry & MOs

Info

ID:	158230
PubChem CID:	56463196
Reduced:	ClOSN3C28H32 (1)
Stoich.:	ABCD3E28F32 (1)
Weight, g/mol:	435.22704
ΔH_f, kcal/mol:	19.67
Dipole, Da:	5.84
IP(EA), eV:	-8.62(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-N-[2-(4-methylpiperazin-1-yl)-1-phenylethyl]-2,3-dioxo-4H-quinoxaline-6-carboxamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)CC(C2=CC=CC=C2)NC(=O)CSC(C3=CC=CC=C3)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations