Geometry & MOs

Info

ID:	57776
PubChem CID:	24277272
Reduced:	O3N4C10H10 (1)
Stoich.:	A3B4C10D10 (1)
Weight, g/mol:	314.13789
ΔH_f, kcal/mol:	-53.52
Dipole, Da:	5.54
IP(EA), eV:	-10.31(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-oxo-5,6,7,8-tetrahydro-1H-quinazolin-2-yl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=O)N=C(N1)N2C(=CC(=N2)C(=O)O)C

DOS

IR

Vibrations