Geometry & MOs

Info

ID:	162062
PubChem CID:	57393488
Reduced:	BrNO5C25H26 (1)
Stoich.:	ABC5D25E26 (1)
Weight, g/mol:	364.105922
ΔH_f, kcal/mol:	-63.81
Dipole, Da:	6.39
IP(EA), eV:	-8.62(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E,6E)-2-[(3-nitrophenyl)methylidene]-6-[(4-nitrophenyl)methylidene]cyclohexan-1-one

Drug info:

PubChemData

Smile

CCCCOC1=C(C=C(C=C1Br)/C=C/2\CCC/C(=C\C3=CC(=CC=C3)[N+](=O)[O-])/C2=O)OC

DOS

IR

Vibrations