Geometry & MOs

Info

ID:	430612
PubChem CID:	135170678
Reduced:	NSO3C9H13 (1)
Stoich.:	ABC3D9E13 (1)
Weight, g/mol:	197.105193
ΔH_f, kcal/mol:	-116.69
Dipole, Da:	5.67
IP(EA), eV:	-9.09(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1,3-dimethyl-5-oxo-2H-pyrrol-2-yl) 2-methylpropanoate

Drug info:

PubChemData

Smile

CCSC1=CC(=O)N(C1OC(=O)C)C

DOS

IR

Vibrations