Geometry & MOs

Info

ID:	22948
PubChem CID:	600091
Reduced:	O2N3C12H15 (1)
Stoich.:	A2B3C12D15 (1)
Weight, g/mol:	233.116427
ΔH_f, kcal/mol:	-42.75
Dipole, Da:	4.84
IP(EA), eV:	-8.86(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[cyano(3,4-dihydro-2H-pyrrol-5-yl)methylidene]pyrrolidine-2-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1CCC(=C(C#N)C2=NCCC2)N1

DOS

IR

Vibrations