Geometry & MOs

Info

ID:	57845
PubChem CID:	24277714
Reduced:	NO4H13C16 (1)
Stoich.:	AB4C13D16 (1)
Weight, g/mol:	244.05964
ΔH_f, kcal/mol:	-115.78
Dipole, Da:	6.38
IP(EA), eV:	-9.13(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-methyl-5-oxo-1H-triazolo[1,5-a]quinazoline-3-carboxylic acid

Drug info:

PubChemData

Smile

C1C2=C(C=C(C=C2)OCC3=CC(=CC=C3)C(=O)O)NC1=O

DOS

IR

Vibrations