Geometry & MOs

Info

ID:	52234
PubChem CID:	12015039
Reduced:	ON2F3H15C25 (1)
Stoich.:	AB2C3D15E25 (1)
Weight, g/mol:	458.085382
ΔH_f, kcal/mol:	-57.68
Dipole, Da:	3.19
IP(EA), eV:	-8.88(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-(trifluoromethyl)indolo[1,2-c]quinazolin-12-yl]-[3-(trifluoromethyl)phenyl]methanone

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)/C=C/C(=O)C2=C3C4=CC=CC=C4N=C(N3C5=CC=CC=C52)C(F)(F)F

DOS

IR

Vibrations