Geometry & MOs

Info

ID:	430435
PubChem CID:	135170499
Reduced:	NO4C14H23 (1)
Stoich.:	AB4C14D23 (1)
Weight, g/mol:	169.073893
ΔH_f, kcal/mol:	-195.04
Dipole, Da:	5.42
IP(EA), eV:	-9.7(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=O)N(C1OC(=O)OC(C)(C)C)C

DOS

IR

Vibrations