Geometry & MOs

Info

ID:	386
PubChem CID:	2689
Reduced:	F3N4C17H17 (1)
Stoich.:	A3B4C17D17 (1)
Weight, g/mol:	334.140531
ΔH_f, kcal/mol:	-88.07
Dipole, Da:	4.71
IP(EA), eV:	-8.55(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)pyrrolo[1,2-a]quinoxaline

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=NC3=C(C=CC(=C3)C(F)(F)F)N4C2=CC=C4

DOS

IR

Vibrations