Geometry & MOs

Info

ID:	52239
PubChem CID:	12015045
Reduced:	N2O2F3H15C25 (1)
Stoich.:	A2B2C3D15E25 (1)
Weight, g/mol:	435.083076
ΔH_f, kcal/mol:	-109.16
Dipole, Da:	3.06
IP(EA), eV:	-9.0(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations