Geometry & MOs

Info

ID:	51465
PubChem CID:	12014135
Reduced:	BrO2C11H17 (1)
Stoich.:	AB2C11D17 (1)
Weight, g/mol:	533.067337
ΔH_f, kcal/mol:	-101.62
Dipole, Da:	3.8
IP(EA), eV:	-9.9(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chlorophenyl)-N-[6-(4-chlorophenyl)-3-(trifluoromethyl)-7H-indolo[2,3-c]quinolin-1-yl]methanimine

Drug info:

PubChemData

Smile

CC1([C@@H]2CC[C@]1(C(=O)C2)[C@@H](CBr)O)C

DOS

IR

Vibrations