Geometry & MOs

Info

ID:	149538
PubChem CID:	53789211
Reduced:	O2H11C13F13 (1)
Stoich.:	A2B11C13D13 (1)
Weight, g/mol:	168.11503
ΔH_f, kcal/mol:	-744.58
Dipole, Da:	2.88
IP(EA), eV:	-11.15(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(propan-2-yloxymethylidene)cyclohexan-1-one

Drug info:

PubChemData

Smile

CC(CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(=C)C(=O)O

DOS

IR

Vibrations