Geometry & MOs

Info

ID:	381782
PubChem CID:	134972611
Reduced:	O4C17H18 (1)
Stoich.:	A4B17C18 (1)
Weight, g/mol:	212.096793
ΔH_f, kcal/mol:	-117.88
Dipole, Da:	3.81
IP(EA), eV:	-8.61(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R)-1-chloro-3-methyl-1-(3-methylphenyl)butan-2-ol

Drug info:

PubChemData

Smile

CC1=C(C(=O)C1)C2=C(OCOC2)C3=C(C=C(C=C3C)O)C

DOS

IR

Vibrations