Geometry & MOs

Info

ID:	430576
PubChem CID:	135170642
Reduced:	NOC10H15 (1)
Stoich.:	ABC10D15 (1)
Weight, g/mol:	239.152144
ΔH_f, kcal/mol:	-35.24
Dipole, Da:	4.02
IP(EA), eV:	-9.56(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-tert-butyl-1-methyl-5-oxo-2H-pyrrol-2-yl) butanoate

Drug info:

PubChemData

Smile

CC1=NC=CC(=C1)C(C)(C)OC

DOS

IR

Vibrations