Geometry & MOs

Info

ID:	361087
PubChem CID:	127301977
Reduced:	SN3O3C20H31 (1)
Stoich.:	AB3C3D20E31 (1)
Weight, g/mol:	342.205576
ΔH_f, kcal/mol:	-126.82
Dipole, Da:	8.06
IP(EA), eV:	-8.88(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-ethylpiperidin-2-yl)methyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide

Drug info:

PubChemData

Smile

CCN1CCCCC1CNC(=O)C2CCCCN2S(=O)(=O)C3=CC=CC=C3

DOS

IR

Vibrations