Geometry & MOs

Info

ID:	166576
PubChem CID:	74711443
Reduced:	NSO4H21C23 (1)
Stoich.:	ABC4D21E23 (1)
Weight, g/mol:	353.150132
ΔH_f, kcal/mol:	-81.22
Dipole, Da:	4.88
IP(EA), eV:	-8.88(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(7-methyl-4-oxo-5H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 2-(4-ethylphenoxy)acetate

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)CNC(=O)COC(=O)C=CC2=CC=C(S2)C3=CC=CC=C3

DOS

IR

Vibrations