Geometry & MOs

Info

ID:	293976
PubChem CID:	117420558
Reduced:	ClN2O3H11C12 (1)
Stoich.:	AB2C3D11E12 (1)
Weight, g/mol:	266.070972
ΔH_f, kcal/mol:	-53.14
Dipole, Da:	4.47
IP(EA), eV:	-8.56(-1.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(7-chloro-2,3-dihydro-1-benzofuran-5-yl)cyclopentane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=C/C(=C/2\C=C(NN2C)C(=O)O)/C1=O)Cl

DOS

IR

Vibrations