Geometry & MOs

Info

ID:	292795
PubChem CID:	117358939
Reduced:	ClO2C13H19 (1)
Stoich.:	AB2C13D19 (1)
Weight, g/mol:	242.107358
ΔH_f, kcal/mol:	-101.04
Dipole, Da:	2.21
IP(EA), eV:	-8.78(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-chloro-2-methoxy-4-propan-2-ylphenyl)propan-2-ol

Drug info:

PubChemData

Smile

CC(C)C1=CC(=C(C(=C1)Cl)OC)C(C)CO

DOS

IR

Vibrations