Geometry & MOs

Info

ID:	430605
PubChem CID:	135170671
Reduced:	OSN2C7H12 (1)
Stoich.:	ABC2D7E12 (1)
Weight, g/mol:	213.100108
ΔH_f, kcal/mol:	-16.48
Dipole, Da:	3.89
IP(EA), eV:	-9.88(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (4-ethyl-1-methyl-5-oxo-2H-pyrrol-2-yl) carbonate

Drug info:

PubChemData

Smile

CC1=NN=C(S1)C(C)(C)OC

DOS

IR

Vibrations