Geometry & MOs

Info

ID:

85585

PubChem CID:

49877281

Reduced:

Cl2N2O2C14H19 (1)

Stoich.:

A2B2C2D14E19 (1)

Weight, g/mol:

183.998773

ΔHf, kcal/mol:

-43.52

Dipole, Da:

5.12

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.750022

Charge, e:

 -1

Chem-info

IUPAC name:

1-benzothiophen-5-amine;chloride

Drug info:

PubChemData

Smile

C1COCCN1CC2=CC=CC=C2CNC(=O)CCl.[Cl-]

DOS

IR

Vibrations