Geometry & MOs

Info

ID:	187116
PubChem CID:	77531166
Reduced:	NO2C4H7 (3)
Stoich.:	AB2C4D7 (3)
Weight, g/mol:	317.137556
ΔH_f, kcal/mol:	-277.46
Dipole, Da:	2.72
IP(EA), eV:	-9.72(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[5-[1-(5-methylpyrazolidin-3-yl)ethoxy]pyridin-2-yl]furan-2-carboxylic acid

Drug info:

PubChemData

Smile

CCC(C1CN(C(=O)NC1=O)C2C(C(C(O2)CO)O)O)N

DOS

IR

Vibrations