Geometry & MOs

Info

ID:	373006
PubChem CID:	131308530
Reduced:	ON2C12H12 (1)
Stoich.:	AB2C12D12 (1)
Weight, g/mol:	200.094963
ΔH_f, kcal/mol:	29.05
Dipole, Da:	3.67
IP(EA), eV:	-9.24(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-5-propan-2-yl-1-benzofuran-2-carbonitrile

Drug info:

PubChemData

Smile

C1=CC(=CC2=C1C=CO2)CC(CN)C#N

DOS

IR

Vibrations