Geometry & MOs

Info

ID:	39015
PubChem CID:	8138359
Reduced:	ClOSN4H11C17 (1)
Stoich.:	ABCD4E11F17 (1)
Weight, g/mol:	353.148789
ΔH_f, kcal/mol:	109.23
Dipole, Da:	2.9
IP(EA), eV:	-9.35(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-methylpropyl)-4-oxo-N'-(1H-pyrrole-2-carbonyl)phthalazine-1-carbohydrazide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=NC=N2)SCC3=NC(=NO3)C4=CC=CC=C4Cl

DOS

IR

Vibrations