Geometry & MOs

Info

ID:	259404
PubChem CID:	103165320
Reduced:	NO2C6H9 (2)
Stoich.:	AB2C6D9 (2)
Weight, g/mol:	328.06741
ΔH_f, kcal/mol:	-119.73
Dipole, Da:	2.99
IP(EA), eV:	-9.91(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-bromo-2-methoxyphenyl)-2-(3-ethoxycyclobutyl)ethanol

Drug info:

PubChemData

Smile

CCOC1CC(C1)CC2=NN=C(O2)C(=O)OCC

DOS

IR

Vibrations