Geometry & MOs

Info

ID:	430488
PubChem CID:	135170552
Reduced:	NO4C9H13 (1)
Stoich.:	AB4C9D13 (1)
Weight, g/mol:	211.120843
ΔH_f, kcal/mol:	-156.17
Dipole, Da:	4.56
IP(EA), eV:	-9.9(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-methyl-5-oxo-4-propan-2-yl-2H-pyrrol-2-yl) propanoate

Drug info:

PubChemData

Smile

CCC1=CC(=O)N(C1OC(=O)OC)C

DOS

IR

Vibrations