Geometry & MOs

Info

ID:	375874
PubChem CID:	134221868
Reduced:	NOSC6H11 (1)
Stoich.:	ABCD6E11 (1)
Weight, g/mol:	346.15445
ΔH_f, kcal/mol:	-47.89
Dipole, Da:	3.14
IP(EA), eV:	-8.91(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(E)-3-(3-ethyl-5-methylphenyl)-4,4,4-trifluorobut-1-enyl]-2-methylbenzaldehyde

Drug info:

PubChemData

Smile

CCC(=O)NC1CSC1

DOS

IR

Vibrations