Geometry & MOs

Info

ID:	395516
PubChem CID:	135025687
Reduced:	ON4C16H16 (1)
Stoich.:	AB4C16D16 (1)
Weight, g/mol:	410.13789
ΔH_f, kcal/mol:	71.16
Dipole, Da:	4.92
IP(EA), eV:	-8.77(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methoxy-N-(3-oxo-2-phenylpyrazolo[1,2-a][1,2,4]benzotriazin-5-yl)benzamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=C(N=N2)COC3=CC=C(C=C3)CCN

DOS

IR

Vibrations