Geometry & MOs

Info

ID:	35470
PubChem CID:	7979916
Reduced:	Cl2N2O5H14C16 (1)
Stoich.:	A2B2C5D14E16 (1)
Weight, g/mol:	384.125612
ΔH_f, kcal/mol:	-97.11
Dipole, Da:	1.25
IP(EA), eV:	-8.78(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-4-oxo-N'-(4-thiophen-2-ylbutanoyl)phthalazine-1-carbohydrazide

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=C(C=CC(=C1)Cl)OC)OC2=C(C=C(C=C2)Cl)[N+](=O)[O-]

DOS

IR

Vibrations