Geometry & MOs

Info

ID:	165318
PubChem CID:	74531649
Reduced:	SN2O3H18C19 (1)
Stoich.:	AB2C3D18E19 (1)
Weight, g/mol:	318.132805
ΔH_f, kcal/mol:	-43.74
Dipole, Da:	6.28
IP(EA), eV:	-8.76(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-methoxypropyl)-N'-[(4-oxo-1H-phthalazin-1-yl)methyl]oxamide

Drug info:

PubChemData

Smile

CCCOC1=CC=C(C=C1)C=C2C(=O)N=C(S2)NC3=CC(=CC=C3)O

DOS

IR

Vibrations