Geometry & MOs

Info

ID:	178992
PubChem CID:	76415256
Reduced:	F2N2O7C38H42 (1)
Stoich.:	A2B2C7D38E42 (1)
Weight, g/mol:	286.072035
ΔH_f, kcal/mol:	-289.79
Dipole, Da:	3.96
IP(EA), eV:	-8.61(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-methoxycarbonylpyrrolidin-3-yl) pyridine-4-carboxylate;hydrochloride

Drug info:

PubChemData

Smile

C1CNCC(C1C2=CC=C(C=C2)F)COC3=CC4=C(C=C3)OCO4.C1CNCC(C1C2=CC=C(C=C2)F)COC3=CC4=C(C=C3)OCO4.O

DOS

IR

Vibrations