Geometry & MOs

Info

ID:	67114
PubChem CID:	46505899
Reduced:	N2O3C34H36 (1)
Stoich.:	A2B3C34D36 (1)
Weight, g/mol:	416.176328
ΔH_f, kcal/mol:	-21.7
Dipole, Da:	2.93
IP(EA), eV:	-8.38(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E,6E)-2,6-bis[(3,4-difluorophenyl)methylidene]-4-(2-methylbutan-2-yl)cyclohexan-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)/CC(C3)C6=CC=CC=C6

DOS

IR

Vibrations