Geometry & MOs

Info

ID:	18543
PubChem CID:	542570
Reduced:	NO4C9H13 (1)
Stoich.:	AB4C9D13 (1)
Weight, g/mol:	199.084458
ΔH_f, kcal/mol:	-147.0
Dipole, Da:	4.56
IP(EA), eV:	-9.5(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-(hydroxymethyl)-1-(methoxymethyl)pyrrole-3-carboxylate

Drug info:

PubChemData

Smile

COCN1C=C(C=C1CO)C(=O)OC

DOS

IR

Vibrations