Geometry & MOs

Info

ID:	437350
PubChem CID:	135226159
Reduced:	N2O4C22H23 (1)
Stoich.:	A2B4C22D23 (1)
Weight, g/mol:	407.197082
ΔH_f, kcal/mol:	-114.44
Dipole, Da:	8.64
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.978260
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[N+]1=CC=CC(=C1)C2=CC3=CC4=C(C=C3OC2=O)N(CCC4)CCCC(=O)O

DOS

IR

Vibrations