Geometry & MOs

Info

ID:	430453
PubChem CID:	135170517
Reduced:	OSN2C10H10 (1)
Stoich.:	ABC2D10E10 (1)
Weight, g/mol:	211.120843
ΔH_f, kcal/mol:	24.36
Dipole, Da:	2.67
IP(EA), eV:	-8.83(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1,4-dimethyl-5-oxo-2H-pyrrol-2-yl) 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

CC1=NC(=NS1)C2=CC(=CC=C2)OC

DOS

IR

Vibrations