Geometry & MOs

Info

ID:	67090
PubChem CID:	46505853
Reduced:	NBr2O3C23H23 (1)
Stoich.:	AB2C3D23E23 (1)
Weight, g/mol:	384.158158
ΔH_f, kcal/mol:	-36.75
Dipole, Da:	1.0
IP(EA), eV:	-9.15(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E,6E)-4-(2-methylbutan-2-yl)-2,6-bis[(3-methylthiophen-2-yl)methylidene]cyclohexan-1-one

Drug info:

PubChemData

Smile

CCN1C/C(=C\C2=CC(=C(C=C2)Br)OC)/C(=O)/C(=C/C3=CC(=C(C=C3)Br)OC)/C1

DOS

IR

Vibrations