Geometry & MOs

Info

ID:	430619
PubChem CID:	135170685
Reduced:	NOC4H6 (2)
Stoich.:	ABC4D6 (2)
Weight, g/mol:	227.115758
ΔH_f, kcal/mol:	-46.82
Dipole, Da:	2.32
IP(EA), eV:	-10.26(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-tert-butyl-1-methyl-5-oxo-2H-pyrrol-2-yl) methyl carbonate

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C(C)(C)C(=O)N

DOS

IR

Vibrations