Geometry & MOs

Info

ID:	207379
PubChem CID:	80389134
Reduced:	OF2N3C15H19 (1)
Stoich.:	AB2C3D15E19 (1)
Weight, g/mol:	293.104977
ΔH_f, kcal/mol:	-86.03
Dipole, Da:	3.91
IP(EA), eV:	-9.0(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,4-difluorophenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine

Drug info:

PubChemData

Smile

CC(C)NCCCC1=NN=C(O1)CC2=C(C=C(C=C2)F)F

DOS

IR

Vibrations