Geometry & MOs

Info

ID:	373740
PubChem CID:	131319549
Reduced:	ClNO2C12H12 (1)
Stoich.:	ABC2D12E12 (1)
Weight, g/mol:	265.977998
ΔH_f, kcal/mol:	-52.54
Dipole, Da:	4.25
IP(EA), eV:	-10.15(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-chloro-4-(trifluoromethyl)-1-benzothiophen-3-yl]methanol

Drug info:

PubChemData

Smile

CCC1=C(C(=C(C=C1)C#N)C(=O)OC)CCl

DOS

IR

Vibrations