Geometry & MOs

Info

ID:	292882
PubChem CID:	117362346
Reduced:	ON2C6H6 (2)
Stoich.:	AB2C6D6 (2)
Weight, g/mol:	244.096026
ΔH_f, kcal/mol:	13.53
Dipole, Da:	6.98
IP(EA), eV:	-8.56(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(5-amino-1-methylpyrazol-4-yl)-4H-1,4-benzoxazin-3-one

Drug info:

PubChemData

Smile

CN1C(=C(C=N1)C2=C(C=C(C(=C2)C#N)O)OC)N

DOS

IR

Vibrations