Geometry & MOs

Info

ID:	372384
PubChem CID:	131296733
Reduced:	SN3C11H11 (1)
Stoich.:	AB3C11D11 (1)
Weight, g/mol:	187.063329
ΔH_f, kcal/mol:	71.94
Dipole, Da:	2.2
IP(EA), eV:	-8.48(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-hydroxy-2,3-dimethyl-1-benzofuran-4-carbonitrile

Drug info:

PubChemData

Smile

CC(C)NC1=NSC2=CC=CC(=C21)C#N

DOS

IR

Vibrations