Geometry & MOs

Info

ID:	52233
PubChem CID:	12015038
Reduced:	ON2F3H13C23 (1)
Stoich.:	AB2C3D13E23 (1)
Weight, g/mol:	416.113648
ΔH_f, kcal/mol:	-69.77
Dipole, Da:	2.73
IP(EA), eV:	-8.91(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-phenyl-1-[6-(trifluoromethyl)indolo[1,2-c]quinazolin-12-yl]prop-2-en-1-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations