Geometry & MOs

Info

ID:	35495
PubChem CID:	7979946
Reduced:	O3N4H18C22 (1)
Stoich.:	A3B4C18D22 (1)
Weight, g/mol:	380.148455
ΔH_f, kcal/mol:	-8.12
Dipole, Da:	2.87
IP(EA), eV:	-9.28(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-N'-[2-(4-methoxyphenyl)acetyl]-4-oxophthalazine-1-carbohydrazide

Drug info:

PubChemData

Smile

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)C3=CC4=CC=CC=C4C=C3

DOS

IR

Vibrations