Geometry & MOs

Info

ID:	430590
PubChem CID:	135170656
Reduced:	NO3C10H13 (1)
Stoich.:	AB3C10D13 (1)
Weight, g/mol:	211.120843
ΔH_f, kcal/mol:	-97.4
Dipole, Da:	5.03
IP(EA), eV:	-9.73(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=O)N(C1OC(=O)C2CC2)C

DOS

IR

Vibrations