Geometry & MOs

Info

ID:	374863
PubChem CID:	131349575
Reduced:	NO3H9C11 (1)
Stoich.:	AB3C9D11 (1)
Weight, g/mol:	203.058243
ΔH_f, kcal/mol:	-37.68
Dipole, Da:	5.43
IP(EA), eV:	-8.68(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,7-dihydroxy-1-benzofuran-2-yl)propanenitrile

Drug info:

PubChemData

Smile

COC1=C(OC2=C1C=CC=C2O)CC#N

DOS

IR

Vibrations