Geometry & MOs

Info

ID:	14101
PubChem CID:	404241
Reduced:	N2O3C10H10 (1)
Stoich.:	A2B3C10D10 (1)
Weight, g/mol:	206.069142
ΔH_f, kcal/mol:	-91.52
Dipole, Da:	5.38
IP(EA), eV:	-9.35(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-4-oxo-3H-pyrido[1,2-a]pyrimidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1(CC(=O)N2C=CC=CC2=N1)C(=O)O

DOS

IR

Vibrations