Geometry & MOs

Info

ID:	31313
PubChem CID:	855563
Reduced:	NSO2H17C19 (1)
Stoich.:	ABC2D17E19 (1)
Weight, g/mol:	271.095691
ΔH_f, kcal/mol:	-18.66
Dipole, Da:	2.15
IP(EA), eV:	-8.73(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzodioxol-5-ylmethyl)-5-methylpyrazine-2-carboxamide

Drug info:

PubChemData

Smile

COC(=O)CSC1=NC2=CC=CC=C2C=C1CC3=CC=CC=C3

DOS

IR

Vibrations