Geometry & MOs

Info

ID:	430463
PubChem CID:	135170527
Reduced:	ClNO4C7H8 (1)
Stoich.:	ABC4D7E8 (1)
Weight, g/mol:	223.120843
ΔH_f, kcal/mol:	-146.65
Dipole, Da:	3.3
IP(EA), eV:	-10.16(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-methyl-5-oxo-3-propan-2-yl-2H-pyrrol-2-yl) cyclopropanecarboxylate

Drug info:

PubChemData

Smile

CN1C(C(=CC1=O)Cl)OC(=O)OC

DOS

IR

Vibrations