Geometry & MOs

Info

ID:	388544
PubChem CID:	134989444
Reduced:	ClO2C12H13 (1)
Stoich.:	AB2C12D13 (1)
Weight, g/mol:	252.183778
ΔH_f, kcal/mol:	-84.26
Dipole, Da:	5.65
IP(EA), eV:	-9.57(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C1CCC(=O)O[C@H](C1)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations