Geometry & MOs

Info

ID:	35474
PubChem CID:	7979924
Reduced:	ClN2O6H13C16 (1)
Stoich.:	AB2C6D13E16 (1)
Weight, g/mol:	408.179755
ΔH_f, kcal/mol:	-113.76
Dipole, Da:	3.41
IP(EA), eV:	-8.53(-1.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[3-(2,5-dimethylphenoxy)propanoyl]-3-ethyl-4-oxophthalazine-1-carbohydrazide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=CC2=C(C=C1)OCO2)OC3=C(C=C(C=C3)Cl)[N+](=O)[O-]

DOS

IR

Vibrations