Geometry & MOs

Info

ID:	374448
PubChem CID:	131329641
Reduced:	SN2F3C10H13 (1)
Stoich.:	AB2C3D10E13 (1)
Weight, g/mol:	218.051384
ΔH_f, kcal/mol:	-121.15
Dipole, Da:	2.75
IP(EA), eV:	-9.15(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-ethoxy-1-benzothiophene-4-carbonitrile

Drug info:

PubChemData

Smile

C1CN(CCN1)[C@@H](C2=CSC=C2)C(F)(F)F

DOS

IR

Vibrations