Geometry & MOs

Info

ID:	384649
PubChem CID:	134977400
Reduced:	LiNC12H20 (1)
Stoich.:	ABC12D20 (1)
Weight, g/mol:	508.145678
ΔH_f, kcal/mol:	-4.81
Dipole, Da:	6.17
IP(EA), eV:	-6.6(2.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

[Li+].C=C([C-]1CCCC1)N2CCCCC2

DOS

IR

Vibrations