Geometry & MOs

Info

ID:	430598
PubChem CID:	135170664
Reduced:	ClNO3C7H8 (1)
Stoich.:	ABC3D7E8 (1)
Weight, g/mol:	227.115758
ΔH_f, kcal/mol:	-114.05
Dipole, Da:	3.78
IP(EA), eV:	-10.12(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)OC1C=C(C(=O)N1C)Cl

DOS

IR

Vibrations