Geometry & MOs

Info

ID:	149105
PubChem CID:	53788777
Reduced:	F2O3C17H22 (2)
Stoich.:	A2B3C17D22 (2)
Weight, g/mol:	337.118832
ΔH_f, kcal/mol:	-475.63
Dipole, Da:	8.45
IP(EA), eV:	-10.07(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[2-(2-methoxyphenyl)ethenyl]-3-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-7-carboxylic acid

Drug info:

PubChemData

Smile

CCCCCCCCC1COC(OC1)C2=CC=C(C=C2)C(=O)OC3=CC(=C(C=C3)C(=O)OC(CCCCCC)C(F)(F)F)F

DOS

IR

Vibrations