Geometry & MOs

Info

ID:	13171
PubChem CID:	222394
Reduced:	ClO2C14H17 (1)
Stoich.:	AB2C14D17 (1)
Weight, g/mol:	252.091708
ΔH_f, kcal/mol:	-91.63
Dipole, Da:	2.44
IP(EA), eV:	-9.35(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-phenylcyclohexyl) 2-chloroacetate

Drug info:

PubChemData

Smile

C1CCC(C(C1)C2=CC=CC=C2)OC(=O)CCl

DOS

IR

Vibrations