Geometry & MOs

Info

ID:	67108
PubChem CID:	46505889
Reduced:	OBr2F2H18C22 (1)
Stoich.:	AB2C2D18E22 (1)
Weight, g/mol:	534.334525
ΔH_f, kcal/mol:	-66.44
Dipole, Da:	2.02
IP(EA), eV:	-9.83(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E,6E)-4-ethyl-2,6-bis[[3-methoxy-4-(3-methylbutoxy)phenyl]methylidene]cyclohexan-1-one

Drug info:

PubChemData

Smile

CCC1C/C(=C\C2=CC(=C(C=C2)F)Br)/C(=O)/C(=C/C3=CC(=C(C=C3)F)Br)/C1

DOS

IR

Vibrations