Geometry & MOs

Info

ID:	371922
PubChem CID:	131280005
Reduced:	N3C11H13 (1)
Stoich.:	A3B11C13 (1)
Weight, g/mol:	200.094963
ΔH_f, kcal/mol:	48.5
Dipole, Da:	5.22
IP(EA), eV:	-9.1(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-3-(3-methyl-1-benzofuran-5-yl)propanenitrile

Drug info:

PubChemData

Smile

C1CCC(C1)C2=C(C=C(C=N2)C#N)N

DOS

IR

Vibrations