Geometry & MOs

Info

ID:	202784
PubChem CID:	79726162
Reduced:	NO5C12H13 (1)
Stoich.:	AB5C12D13 (1)
Weight, g/mol:	279.110673
ΔH_f, kcal/mol:	-164.06
Dipole, Da:	5.6
IP(EA), eV:	-9.17(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(3-hydroxy-4-methoxybenzoyl)pyrrolidin-3-yl]acetic acid

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(=O)N2CC(C2)C(=O)O)O

DOS

IR

Vibrations