Geometry & MOs

Info

ID:	312378
PubChem CID:	126604519
Reduced:	ClNC11H14 (1)
Stoich.:	ABC11D14 (1)
Weight, g/mol:	206.040151
ΔH_f, kcal/mol:	19.13
Dipole, Da:	4.35
IP(EA), eV:	-7.98(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-methylidene-1-benzothiophen-2-yl) acetate

Drug info:

PubChemData

Smile

CN1CCC(=C)C2C1=CC=C(C2)Cl

DOS

IR

Vibrations