Geometry & MOs

Info

ID:	35510
PubChem CID:	7979965
Reduced:	O3N4C22H24 (1)
Stoich.:	A3B4C22D24 (1)
Weight, g/mol:	422.195405
ΔH_f, kcal/mol:	-46.16
Dipole, Da:	2.42
IP(EA), eV:	-9.34(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-N'-[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]-4-oxophthalazine-1-carbohydrazide

Drug info:

PubChemData

Smile

CCC[C@H](C1=CC=CC=C1)C(=O)NNC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC

DOS

IR

Vibrations