Geometry & MOs

Info

ID:	196127
PubChem CID:	78785766
Reduced:	ClON4C18H23 (1)
Stoich.:	ABC4D18E23 (1)
Weight, g/mol:	368.184841
ΔH_f, kcal/mol:	-10.67
Dipole, Da:	4.3
IP(EA), eV:	-9.07(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[(2E,4E)-hexa-2,4-dienoyl]-4-oxo-3-pentylphthalazine-1-carbohydrazide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=C(C=CC(=N2)N3C(=CC(=N3)C)C)Cl

DOS

IR

Vibrations