Geometry & MOs

Info

ID:	52235
PubChem CID:	12015040
Reduced:	ON2F6H12C24 (1)
Stoich.:	AB2C6D12E24 (1)
Weight, g/mol:	404.113648
ΔH_f, kcal/mol:	-232.22
Dipole, Da:	2.53
IP(EA), eV:	-9.06(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methylphenyl)-[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(=CC=C5)C(F)(F)F

DOS

IR

Vibrations