Geometry & MOs

Info

ID:	437345
PubChem CID:	135226041
Reduced:	O2N7C27H29 (1)
Stoich.:	A2B7C27D29 (1)
Weight, g/mol:	477.275333
ΔH_f, kcal/mol:	138.29
Dipole, Da:	3.83
IP(EA), eV:	-8.26(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)OC)NC2=CN(C(=O)N3C2=NC=C3C45CC(C4)C5)CC6=CC(=CC=C6)NC(=C)C=C

DOS

IR

Vibrations