Geometry & MOs

Info

ID:	430476
PubChem CID:	135170540
Reduced:	NO3C10H15 (1)
Stoich.:	AB3C10D15 (1)
Weight, g/mol:	239.152144
ΔH_f, kcal/mol:	-129.87
Dipole, Da:	4.69
IP(EA), eV:	-9.73(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations