Geometry & MOs

Info

ID:	52238
PubChem CID:	12015044
Reduced:	ON2F4H12C23 (1)
Stoich.:	AB2C4D12E23 (1)
Weight, g/mol:	432.108562
ΔH_f, kcal/mol:	-116.57
Dipole, Da:	3.2
IP(EA), eV:	-8.89(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[6-(trifluoromethyl)indolo[1,2-c]quinazoline-12-carbonyl]phenyl]ethanone

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(C4=CC=CC=C4N3C(=N2)C(F)(F)F)C(=O)C5=CC=CC=C5F

DOS

IR

Vibrations