Geometry & MOs

Info

ID:	67003
PubChem CID:	46505682
Reduced:	OCl2F2H16C21 (1)
Stoich.:	AB2C2D16E21 (1)
Weight, g/mol:	390.219495
ΔH_f, kcal/mol:	-86.89
Dipole, Da:	4.5
IP(EA), eV:	-9.85(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z,6Z)-2,6-bis[(2-propan-2-yloxyphenyl)methylidene]cyclohexan-1-one

Drug info:

PubChemData

Smile

CC1C/C(=C\C2=C(C=CC=C2Cl)F)/C(=O)/C(=C/C3=C(C=CC=C3Cl)F)/C1

DOS

IR

Vibrations