Geometry & MOs

Info

ID:	283070
PubChem CID:	103956563
Reduced:	O3N4H8C9 (1)
Stoich.:	A3B4C8D9 (1)
Weight, g/mol:	265.095023
ΔH_f, kcal/mol:	-46.03
Dipole, Da:	6.6
IP(EA), eV:	-9.53(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-(3,4-dihydroxybenzoyl)pyrrolidine-3-carboxylate

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C(=O)NC2=NC=NN2)O)O

DOS

IR

Vibrations