Geometry & MOs

Info

ID:	182727
PubChem CID:	76931033
Reduced:	ON3C16H19 (1)
Stoich.:	AB3C16D19 (1)
Weight, g/mol:	285.033388
ΔH_f, kcal/mol:	42.41
Dipole, Da:	3.12
IP(EA), eV:	-8.26(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-(2-oxo-2-thiophen-2-ylethyl)phthalazin-2-ium-1,4-dione

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)N(C)CC2=CC(=CC=C2)C(=NO)N

DOS

IR

Vibrations