Geometry & MOs

Info

ID:	130215
PubChem CID:	51075292
Reduced:	OF3N3C15H16 (1)
Stoich.:	AB3C3D15E16 (1)
Weight, g/mol:	301.124883
ΔH_f, kcal/mol:	-161.1
Dipole, Da:	7.75
IP(EA), eV:	-9.3(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-imidazol-1-ylpropyl)-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CC(=O)NCCCN2C=CN=C2)C(F)(F)F

DOS

IR

Vibrations