Geometry & MOs

Info

ID:	295186
PubChem CID:	117520902
Reduced:	BrN2O4C16H19 (1)
Stoich.:	AB2C4D16E19 (1)
Weight, g/mol:	382.07797
ΔH_f, kcal/mol:	-104.78
Dipole, Da:	8.33
IP(EA), eV:	-8.89(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-bromo-4-cyclopentyloxy-5-methoxyphenyl)cyclopentane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)C1=C(C(=C(C=C1C2=CC(=NN2C)C(=O)O)OC)OC)Br

DOS

IR

Vibrations