Geometry & MOs

Info

ID:	130385
PubChem CID:	51075790
Reduced:	ON2C8H10 (2)
Stoich.:	AB2C8D10 (2)
Weight, g/mol:	289.124883
ΔH_f, kcal/mol:	-18.27
Dipole, Da:	5.77
IP(EA), eV:	-9.13(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-imidazol-1-ylethyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2CCCN2C(=O)CCN3C=NC=N3

DOS

IR

Vibrations