Geometry & MOs

Info

ID:	24801
PubChem CID:	613723
Reduced:	N2O3C11H14 (1)
Stoich.:	A2B3C11D14 (1)
Weight, g/mol:	222.100442
ΔH_f, kcal/mol:	-119.23
Dipole, Da:	9.64
IP(EA), eV:	-8.96(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,6-dimethyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1CCC=C2N1C(=O)C(=CN2C)C(=O)O

DOS

IR

Vibrations