Geometry & MOs

Info

ID:	253253
PubChem CID:	103117116
Reduced:	N3O4C13H13 (1)
Stoich.:	A3B4C13D13 (1)
Weight, g/mol:	287.090606
ΔH_f, kcal/mol:	-91.04
Dipole, Da:	7.76
IP(EA), eV:	-9.01(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1-methylpyrazole-3-carbonyl)-2,3-dihydro-1,4-benzoxazine-8-carboxylic acid

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(=O)NC2=C(C=C(C=C2)OC)C(=O)O

DOS

IR

Vibrations