Geometry & MOs

Info

ID:	264140
PubChem CID:	103432341
Reduced:	BrO2C17H17 (1)
Stoich.:	AB2C17D17 (1)
Weight, g/mol:	250.156895
ΔH_f, kcal/mol:	-45.59
Dipole, Da:	2.92
IP(EA), eV:	-8.64(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methoxy-3,4-dimethylphenyl)-1-(oxolan-3-yl)ethanol

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)OCC2=CC(=CC3=C2OCC3)Br)C

DOS

IR

Vibrations