Geometry & MOs

Info

ID:	384106
PubChem CID:	134976341
Reduced:	C11H20 (2)
Stoich.:	A11B20 (2)
Weight, g/mol:	518.091198
ΔH_f, kcal/mol:	-76.24
Dipole, Da:	0.45
IP(EA), eV:	-10.08(3.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8-cyano-2,3-diphenylindolizin-1-yl) 4-(trifluoromethyl)benzenesulfonate

Drug info:

PubChemData

Smile

CC(C)C1CCC(C1)[C@]2(CC[C@@]2(C)C3CCC(C3)C(C)C)C

DOS

IR

Vibrations