Geometry & MOs

Info

ID:	55484
PubChem CID:	17395447
Reduced:	NSO4C19H21 (1)
Stoich.:	ABC4D19E21 (1)
Weight, g/mol:	336.158626
ΔH_f, kcal/mol:	-121.94
Dipole, Da:	2.75
IP(EA), eV:	-9.24(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-(dimethylamino)phenyl]methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide

Drug info:

PubChemData

Smile

CN(C1CCS(=O)(=O)C1)C(=O)C2=CC(=CC=C2)OCC3=CC=CC=C3

DOS

IR

Vibrations