Geometry & MOs

Info

ID:	73286
PubChem CID:	48417369
Reduced:	O3N5H11C15 (1)
Stoich.:	A3B5C11D15 (1)
Weight, g/mol:	356.102174
ΔH_f, kcal/mol:	-11.89
Dipole, Da:	6.87
IP(EA), eV:	-9.4(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-(4-oxo-3-phenylphthalazine-1-carbonyl)pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)N(C2=O)CCC(=O)N3C(=C(C=N3)C#N)N

DOS

IR

Vibrations