Geometry & MOs

Info

ID:	372462
PubChem CID:	131298040
Reduced:	ON3C12H15 (1)
Stoich.:	AB3C12D15 (1)
Weight, g/mol:	204.07212
ΔH_f, kcal/mol:	25.44
Dipole, Da:	3.49
IP(EA), eV:	-8.51(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-3-(2,3-dihydro-1-benzothiophen-7-yl)propanenitrile

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)OC2=CC(=NN2C)N

DOS

IR

Vibrations