Geometry & MOs

Info

ID:	352541
PubChem CID:	127283629
Reduced:	SN3O4C19H25 (1)
Stoich.:	AB3C4D19E25 (1)
Weight, g/mol:	297.147727
ΔH_f, kcal/mol:	-135.83
Dipole, Da:	4.02
IP(EA), eV:	-9.3(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-4-[2-(4-methylidenepiperidin-1-yl)-2-oxoethyl]phthalazin-1-one

Drug info:

PubChemData

Smile

CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCC(=C)CC3

DOS

IR

Vibrations