Geometry & MOs

Info

ID:	265982
PubChem CID:	103557499
Reduced:	BrO2C13H17 (1)
Stoich.:	AB2C13D17 (1)
Weight, g/mol:	234.16198
ΔH_f, kcal/mol:	-69.04
Dipole, Da:	1.49
IP(EA), eV:	-9.7(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,4-dimethylphenyl)-2-(1-methoxycyclobutyl)ethanol

Drug info:

PubChemData

Smile

COC1(CCC1)CC(C2=CC=C(C=C2)Br)O

DOS

IR

Vibrations