Geometry & MOs

Info

ID:	35499
PubChem CID:	7979953
Reduced:	O3N4C21H22 (1)
Stoich.:	A3B4C21D22 (1)
Weight, g/mol:	384.216141
ΔH_f, kcal/mol:	-42.01
Dipole, Da:	1.75
IP(EA), eV:	-9.2(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(4-cyclohexylbutanoyl)-3-ethyl-4-oxophthalazine-1-carbohydrazide

Drug info:

PubChemData

Smile

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)C[C@H](C)C3=CC=CC=C3

DOS

IR

Vibrations