Geometry & MOs

Info

ID:	437996
PubChem CID:	135227449
Reduced:	ON3C9H9 (1)
Stoich.:	AB3C9D9 (1)
Weight, g/mol:	205.085127
ΔH_f, kcal/mol:	63.24
Dipole, Da:	1.42
IP(EA), eV:	-9.71(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-1-(3-cyano-1-methylpyrrol-2-yl)ethylideneamino] acetate

Drug info:

PubChemData

Smile

C/C(=N\OC)/C1=C(C=CN=C1)C#N

DOS

IR

Vibrations