Geometry & MOs

Info

ID:	38076
PubChem CID:	8026822
Reduced:	OS2N6H18C19 (1)
Stoich.:	AB2C6D18E19 (1)
Weight, g/mol:	339.104148
ΔH_f, kcal/mol:	75.95
Dipole, Da:	4.09
IP(EA), eV:	-8.52(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-oxo-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]ethyl]-2H-phthalazin-1-one

Drug info:

PubChemData

Smile

C1CN(CCN1CC2=NC3=C(C(=CS3)C4=CC=CS4)C(=O)N2)C5=NC=CC=N5

DOS

IR

Vibrations