Geometry & MOs

Info

ID:	37753
PubChem CID:	8024109
Reduced:	OSN2C15H18 (1)
Stoich.:	ABC2D15E18 (1)
Weight, g/mol:	327.121906
ΔH_f, kcal/mol:	-7.58
Dipole, Da:	2.36
IP(EA), eV:	-8.84(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[bis(prop-2-enyl)amino]-2-oxoethyl] 4-oxo-3H-phthalazine-1-carboxylate

Drug info:

PubChemData

Smile

CCN(C1=NC2=C(C=CC=C2S1)C)C(=O)C3CCC3

DOS

IR

Vibrations