Geometry & MOs

Info

ID:	384168
PubChem CID:	134976471
Reduced:	ON2H26C28 (1)
Stoich.:	AB2C26D28 (1)
Weight, g/mol:	492.150764
ΔH_f, kcal/mol:	71.13
Dipole, Da:	5.17
IP(EA), eV:	-8.32(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[8-cyano-2,3-bis(4-methylphenyl)indolizin-1-yl] 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

C1CCC(CC1)COC2=C3C(=CC=CN3C(=C2C4=CC=CC=C4)C5=CC=CC=C5)C#N

DOS

IR

Vibrations