Geometry & MOs

Info

ID:	328766
PubChem CID:	126727533
Reduced:	OSC11H14 (1)
Stoich.:	ABC11D14 (1)
Weight, g/mol:	338.242122
ΔH_f, kcal/mol:	-37.64
Dipole, Da:	1.99
IP(EA), eV:	-8.77(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1Z,3Z)-4-ethoxy-2,3-difluorohexa-1,3,5-trienyl]-4-(4-methylcyclohexyl)cyclohexane

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CSCC(=O)C

DOS

IR

Vibrations