Geometry & MOs

Info

ID:	295174
PubChem CID:	117520266
Reduced:	BrNO2C18H26 (1)
Stoich.:	ABC2D18E26 (1)
Weight, g/mol:	368.06232
ΔH_f, kcal/mol:	-79.36
Dipole, Da:	4.23
IP(EA), eV:	-8.69(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-bromo-2-cyclobutyloxy-3-methoxyphenyl)cyclopentane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)C1=C2C(=C(C=C1C3(CCCCC3)CN)Br)OCCO2

DOS

IR

Vibrations