Geometry & MOs

Info

ID:	430503
PubChem CID:	135170569
Reduced:	N4C9H10 (1)
Stoich.:	A4B9C10 (1)
Weight, g/mol:	199.084458
ΔH_f, kcal/mol:	72.85
Dipole, Da:	2.93
IP(EA), eV:	-9.33(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1,3-dimethyl-5-oxo-2H-pyrrol-2-yl) ethyl carbonate

Drug info:

PubChemData

Smile

CC1=NN(C(=N1)C)C2=CC=CC=N2

DOS

IR

Vibrations