Geometry & MOs

Info

ID:	352507
PubChem CID:	127283595
Reduced:	SN3O3C14H19 (1)
Stoich.:	AB3C3D14E19 (1)
Weight, g/mol:	283.132077
ΔH_f, kcal/mol:	-79.87
Dipole, Da:	2.57
IP(EA), eV:	-9.33(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(CC(=O)N1CCC(=C)CC1)S(=O)(=O)C2=CN=CC=C2

DOS

IR

Vibrations