Geometry & MOs

Info

ID:	430683
PubChem CID:	135170749
Reduced:	NO2C9H15 (1)
Stoich.:	AB2C9D15 (1)
Weight, g/mol:	199.084458
ΔH_f, kcal/mol:	-92.52
Dipole, Da:	3.7
IP(EA), eV:	-9.74(-0.4)
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) hydrogen carbonate

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=O)N(C1O)C

DOS

IR

Vibrations