Geometry & MOs

Info

ID:

430539

PubChem CID:

135170605

Reduced:

ClNO3C7H8 (1)

Stoich.:

ABC3D7E8 (1)

Weight, g/mol:

201.063722

ΔHf, kcal/mol:

-115.96

Dipole, Da:

3.39

IP(EA), eV:

-10.06(-1.02)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations