Geometry & MOs

Info

ID:	255392
PubChem CID:	103131719
Reduced:	ClOC12H21 (1)
Stoich.:	ABC12D21 (1)
Weight, g/mol:	230.143743
ΔH_f, kcal/mol:	-101.57
Dipole, Da:	2.07
IP(EA), eV:	-9.61(1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-chlorocycloheptyl)methyl]-5-methyloxolane

Drug info:

PubChemData

Smile

CC1CCC(O1)CC2CCCCC2Cl

DOS

IR

Vibrations