Geometry & MOs

Info

ID:	373005
PubChem CID:	131308512
Reduced:	ISO3H5C10 (1)
Stoich.:	ABC3D5E10 (1)
Weight, g/mol:	200.094963
ΔH_f, kcal/mol:	-52.32
Dipole, Da:	7.25
IP(EA), eV:	-9.5(-2.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(aminomethyl)-3-(1-benzofuran-6-yl)propanenitrile

Drug info:

PubChemData

Smile

C1=CC2=C(C(=C1)I)SC(=C2C=O)C(=O)O

DOS

IR

Vibrations