Geometry & MOs

Info

ID:	206489
PubChem CID:	80259234
Reduced:	NO5C12H19 (1)
Stoich.:	AB5C12D19 (1)
Weight, g/mol:	275.152144
ΔH_f, kcal/mol:	-234.82
Dipole, Da:	6.43
IP(EA), eV:	-10.18(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[(1-methylcyclopentanecarbonyl)amino]ethyl]benzoic acid

Drug info:

PubChemData

Smile

CCC1(CCCC1)C(=O)N(CC(=O)O)CC(=O)O

DOS

IR

Vibrations