Geometry & MOs

Info

ID:	372341
PubChem CID:	131296414
Reduced:	NOSH9C12 (1)
Stoich.:	ABCD9E12 (1)
Weight, g/mol:	244.016971
ΔH_f, kcal/mol:	31.52
Dipole, Da:	3.88
IP(EA), eV:	-9.06(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-3-(trifluoromethyl)-1-benzothiophene-4-carbaldehyde

Drug info:

PubChemData

Smile

CC1=CC(=C2C(=C1)C(=CS2)CC#N)C=O

DOS

IR

Vibrations