Geometry & MOs

Info

ID:	67116
PubChem CID:	46505904
Reduced:	N2O3C32H40 (1)
Stoich.:	A2B3C32D40 (1)
Weight, g/mol:	513.94583
ΔH_f, kcal/mol:	-71.03
Dipole, Da:	3.01
IP(EA), eV:	-8.35(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C1C/C(=C\C2=CC=C(C=C2)N3CCOCC3)/C(=O)/C(=C/C4=CC=C(C=C4)N5CCOCC5)/C1)(C)C

DOS

IR

Vibrations