Geometry & MOs

Info

ID:	265980
PubChem CID:	103557491
Reduced:	BrO3C14H19 (1)
Stoich.:	AB3C14D19 (1)
Weight, g/mol:	234.16198
ΔH_f, kcal/mol:	-109.06
Dipole, Da:	5.37
IP(EA), eV:	-9.07(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-dimethylphenyl)-2-(1-methoxycyclobutyl)ethanol

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)Br)C(CC2(CCC2)OC)O

DOS

IR

Vibrations