Geometry & MOs

Info

ID:	52237
PubChem CID:	12015043
Reduced:	ClON2F3H12C23 (1)
Stoich.:	ABC2D3E12F23 (1)
Weight, g/mol:	408.088576
ΔH_f, kcal/mol:	-79.78
Dipole, Da:	1.21
IP(EA), eV:	-9.01(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-fluorophenyl)-[6-(trifluoromethyl)indolo[1,2-c]quinazolin-12-yl]methanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations