Geometry & MOs

Info

ID:	293462
PubChem CID:	117390070
Reduced:	ClO3C13H15 (1)
Stoich.:	AB3C13D15 (1)
Weight, g/mol:	254.107358
ΔH_f, kcal/mol:	-111.99
Dipole, Da:	4.21
IP(EA), eV:	-9.26(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-chloro-3-(2-hydroxypropyl)-4-methyl-5,6,7,8-tetrahydronaphthalen-2-ol

Drug info:

PubChemData

Smile

CC(C1=CC(=C(C=C1)OCC(=C)C)Cl)C(=O)O

DOS

IR

Vibrations