Geometry & MOs

Info

ID:	295065
PubChem CID:	117514318
Reduced:	N2O2C21H26 (1)
Stoich.:	A2B2C21D26 (1)
Weight, g/mol:	338.05176
ΔH_f, kcal/mol:	-57.18
Dipole, Da:	6.59
IP(EA), eV:	-8.33(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-bromo-4-(oxolan-3-yl)phenyl]cyclopentane-1-carboxylic acid

Drug info:

PubChemData

Smile

CN1C2=C(C=C(C=C2)C3(CCCCC3)C(=O)O)C4=C1N5CCC4CC5

DOS

IR

Vibrations