Geometry & MOs

Info

ID:	73545
PubChem CID:	48418085
Reduced:	O3N5C22H23 (1)
Stoich.:	A3B5C22D23 (1)
Weight, g/mol:	402.144038
ΔH_f, kcal/mol:	-30.63
Dipole, Da:	2.12
IP(EA), eV:	-8.65(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-N'-[3-(3-methylpyrazol-1-yl)benzoyl]-4-oxophthalazine-1-carbohydrazide

Drug info:

PubChemData

Smile

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)C(C)N3CCC4=CC=CC=C43

DOS

IR

Vibrations