Geometry & MOs

Info

ID:	67115
PubChem CID:	46505900
Reduced:	OF4H24C25 (1)
Stoich.:	AB4C24D25 (1)
Weight, g/mol:	500.303893
ΔH_f, kcal/mol:	-176.74
Dipole, Da:	2.0
IP(EA), eV:	-9.95(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E,6E)-4-tert-butyl-2,6-bis[(4-morpholin-4-ylphenyl)methylidene]cyclohexan-1-one

Drug info:

PubChemData

Smile

CCC(C1C/C(=C\C2=CC(=C(C=C2)F)F)/C(=O)/C(=C/C3=CC(=C(C=C3)F)F)/C1)(C)C

DOS

IR

Vibrations