Geometry & MOs

Info

ID:	30817
PubChem CID:	841966
Reduced:	OF2N5H15C16 (1)
Stoich.:	AB2C5D15E16 (1)
Weight, g/mol:	299.134385
ΔH_f, kcal/mol:	-45.95
Dipole, Da:	3.5
IP(EA), eV:	-8.6(-1.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-1-phenylpropyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2=NN3C(=CC(=NC3=N2)C)C(F)F)C

DOS

IR

Vibrations