Geometry & MOs

Info

ID:	372595
PubChem CID:	131300461
Reduced:	SO2N4C5H10 (1)
Stoich.:	AB2C4D5E10 (1)
Weight, g/mol:	190.074228
ΔH_f, kcal/mol:	-22.87
Dipole, Da:	1.91
IP(EA), eV:	-10.0(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-6-methoxy-2,3-dihydro-1-benzofuran-2-carbonitrile

Drug info:

PubChemData

Smile

C1C(CN1S(=O)(=O)N)NCC#N

DOS

IR

Vibrations