Geometry & MOs

Info

ID:	400096
PubChem CID:	135045415
Reduced:	ClO2C13H19 (1)
Stoich.:	AB2C13D19 (1)
Weight, g/mol:	279.1293
ΔH_f, kcal/mol:	-102.82
Dipole, Da:	3.01
IP(EA), eV:	-9.46(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC1(O[C@H]2C=CC(=C[C@H]2O1)C(C)(C)CCl)C

DOS

IR

Vibrations