Geometry & MOs

Info

ID:	67024
PubChem CID:	46505719
Reduced:	N3O3C34H37 (1)
Stoich.:	A3B3C34D37 (1)
Weight, g/mol:	481.95155
ΔH_f, kcal/mol:	-10.76
Dipole, Da:	2.08
IP(EA), eV:	-8.29(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E,6E)-2,6-bis[(3-bromo-4-fluorophenyl)methylidene]-4-methylcyclohexan-1-one

Drug info:

PubChemData

Smile

C1N(CCOC1)C2=CC=C(C=C2)/C=C\3/C(=O)/C(=C/C4=CC=C(C=C4)N5CCOCC5)/CN(C3)CC6=CC=CC=C6

DOS

IR

Vibrations