Geometry & MOs

Info

ID:	52240
PubChem CID:	12015046
Reduced:	F3N3O3H12C23 (1)
Stoich.:	A3B3C3D12E23 (1)
Weight, g/mol:	450.191898
ΔH_f, kcal/mol:	-71.57
Dipole, Da:	2.72
IP(EA), eV:	-9.19(-1.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-tert-butylcyclohexen-1-yl)-[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)[N+](=O)[O-]

DOS

IR

Vibrations