Geometry & MOs

Info

ID:	41054
PubChem CID:	8145183
Reduced:	OSN2H8C10 (2)
Stoich.:	ABC2D8E10 (2)
Weight, g/mol:	351.121906
ΔH_f, kcal/mol:	43.75
Dipole, Da:	3.05
IP(EA), eV:	-8.56(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-methyl-4-oxophthalazine-1-carboxamide

Drug info:

PubChemData

Smile

CN(CC1=NC2=C(C(=CS2)C3=CC=CO3)C(=O)N1)CC4=NC5=CC=CC=C5S4

DOS

IR

Vibrations