Geometry & MOs

Info

ID:	425797
PubChem CID:	135128051
Reduced:	F3N3H20C21 (1)
Stoich.:	A3B3C20D21 (1)
Weight, g/mol:	351.98211
ΔH_f, kcal/mol:	-52.71
Dipole, Da:	1.97
IP(EA), eV:	-8.54(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,2-dihydropyrazin-6-yl)-6-iodo-1H-quinazolin-4-one

Drug info:

PubChemData

Smile

CNC1=NC(NC2=C1C=C(C=C2F)C3CC=C(C=C3F)F)C4=CC=CCC4

DOS

IR

Vibrations