Geometry & MOs

Info

ID:	166104
PubChem CID:	74637786
Reduced:	NO2F4H11C16 (1)
Stoich.:	AB2C4D11E16 (1)
Weight, g/mol:	434.219215
ΔH_f, kcal/mol:	-194.01
Dipole, Da:	6.08
IP(EA), eV:	-9.14(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N'-[[2-(2-ethylpiperidin-1-yl)-7-methyl-4-oxopyrido[1,2-a]pyrimidin-5-ium-3-ylidene]methyl]-2-hydroxybenzohydrazide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C=CC(=O)NC2=C(C(=C(C=C2)F)F)F)F

DOS

IR

Vibrations