Geometry & MOs

Info

ID:	264193
PubChem CID:	103440013
Reduced:	BrCl2O2C12H13 (1)
Stoich.:	AB2C2D12E13 (1)
Weight, g/mol:	232.123008
ΔH_f, kcal/mol:	-103.82
Dipole, Da:	2.16
IP(EA), eV:	-9.94(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-chloro-4-cyclohexylbutanoate

Drug info:

PubChemData

Smile

CCOC(=O)CCC(C1=C(C=C(C=C1)Br)Cl)Cl

DOS

IR

Vibrations