Geometry & MOs

Info

ID:	372183
PubChem CID:	131294208
Reduced:	ON2C11H12 (1)
Stoich.:	AB2C11D12 (1)
Weight, g/mol:	188.094963
ΔH_f, kcal/mol:	24.62
Dipole, Da:	4.05
IP(EA), eV:	-8.66(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-2,2-dimethyl-3H-1-benzofuran-6-carbonitrile

Drug info:

PubChemData

Smile

CC(=C)COC1=C(C=CC=C1N)C#N

DOS

IR

Vibrations