Geometry & MOs

Info

ID:	437348
PubChem CID:	135226157
Reduced:	N2O4C24H27 (1)
Stoich.:	A2B4C24D27 (1)
Weight, g/mol:	421.212732
ΔH_f, kcal/mol:	-126.46
Dipole, Da:	5.44
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.197314
Charge, e:	1

Chem-info

IUPAC name:

4-[6,8,8-trimethyl-3-(1-methylpyridin-1-ium-3-yl)-2-oxo-6,7-dihydropyrano[3,2-g]quinolin-9-yl]butanoic acid

Drug info:

PubChemData

Smile

CC1(CCN(C2=C1C=C3C=C(C(=O)OC3=C2)C4=CC=[N+](C=C4)C)CCCC(=O)O)C

DOS

IR

Vibrations