Geometry & MOs

Info

ID:	265979
PubChem CID:	103557490
Reduced:	BrO3C14H19 (1)
Stoich.:	AB3C14D19 (1)
Weight, g/mol:	314.05176
ΔH_f, kcal/mol:	-109.74
Dipole, Da:	3.51
IP(EA), eV:	-8.86(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-bromo-2-methoxyphenyl)-2-(1-methoxycyclobutyl)ethanol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations