Geometry & MOs

Info

ID:	52241
PubChem CID:	12015048
Reduced:	ON2F3H25C27 (1)
Stoich.:	AB2C3D25E27 (1)
Weight, g/mol:	450.191898
ΔH_f, kcal/mol:	-117.07
Dipole, Da:	4.13
IP(EA), eV:	-8.82(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,3,5,5-tetramethylcyclohexen-1-yl)-[6-(trifluoromethyl)indolo[1,2-c]quinazolin-12-yl]methanone

Drug info:

PubChemData

Smile

CC(C)(C)C1CCC(=CC1)C(=O)C2=C3C4=CC=CC=C4N=C(N3C5=CC=CC=C52)C(F)(F)F

DOS

IR

Vibrations