Geometry & MOs

Info

ID:	371908
PubChem CID:	131279142
Reduced:	Cl2N3C7H7 (1)
Stoich.:	A2B3C7D7 (1)
Weight, g/mol:	188.094963
ΔH_f, kcal/mol:	50.04
Dipole, Da:	3.03
IP(EA), eV:	-10.03(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-2-(2,3-dihydro-1-benzofuran-6-yl)propanenitrile

Drug info:

PubChemData

Smile

C=C[C@@H](C1=C(N=CN=C1Cl)Cl)N

DOS

IR

Vibrations