Geometry & MOs

Info

ID:	264196
PubChem CID:	103440072
Reduced:	ClFO2C13H16 (1)
Stoich.:	ABC2D13E16 (1)
Weight, g/mol:	192.091708
ΔH_f, kcal/mol:	-154.19
Dipole, Da:	2.56
IP(EA), eV:	-9.71(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-chloro-5-methylhexanoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations