Geometry & MOs

Info

ID:	163619
PubChem CID:	58098219
Reduced:	ClOC12H13 (1)
Stoich.:	ABC12D13 (1)
Weight, g/mol:	162.115698
ΔH_f, kcal/mol:	-48.36
Dipole, Da:	2.13
IP(EA), eV:	-9.28(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CCCC1=C(C=C2CC(=O)CC2=C1)Cl

DOS

IR

Vibrations