Geometry & MOs

Info

ID:	167038
PubChem CID:	74770402
Reduced:	N2O6C21H24 (1)
Stoich.:	A2B6C21D24 (1)
Weight, g/mol:	294.124252
ΔH_f, kcal/mol:	-219.29
Dipole, Da:	7.25
IP(EA), eV:	-9.51(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-(benzylamino)-9-methyl-4-oxo-5H-pyrido[1,2-a]pyrimidin-5-ium-3-carbaldehyde

Drug info:

PubChemData

Smile

CC(C1NC2CCCCC2C(=O)N1)OC(=O)COC3=CC4=C(C=C3)C=CC(=O)O4

DOS

IR

Vibrations