Geometry & MOs

Info

ID:	430481
PubChem CID:	135170545
Reduced:	NO4C13H13 (1)
Stoich.:	AB4C13D13 (1)
Weight, g/mol:	237.136493
ΔH_f, kcal/mol:	-117.39
Dipole, Da:	2.79
IP(EA), eV:	-9.48(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-tert-butyl-1-methyl-5-oxo-2H-pyrrol-2-yl) cyclopropanecarboxylate

Drug info:

PubChemData

Smile

CN1C(C=C(C1=O)C2=CC=CC=C2)OC(=O)OC

DOS

IR

Vibrations