Geometry & MOs

Info

ID:	57773
PubChem CID:	24277263
Reduced:	O3N5C9H9 (1)
Stoich.:	A3B5C9D9 (1)
Weight, g/mol:	274.10659
ΔH_f, kcal/mol:	-29.83
Dipole, Da:	3.74
IP(EA), eV:	-10.43(-2.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-1-(4-oxo-5,6,7,8-tetrahydro-1H-quinazolin-2-yl)pyrazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=NN1C2=NC(=O)NN=C2C)C(=O)O

DOS

IR

Vibrations