Geometry & MOs

Info

ID:	430669
PubChem CID:	135170735
Reduced:	N3C15H23 (1)
Stoich.:	A3B15C23 (1)
Weight, g/mol:	225.136493
ΔH_f, kcal/mol:	41.51
Dipole, Da:	2.18
IP(EA), eV:	-8.09(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-tert-butyl-1-methyl-5-oxo-2H-pyrrol-2-yl) propanoate

Drug info:

PubChemData

Smile

CCC(C)C1=CC=C(C=C1)N2C=C(NN2)C(C)C

DOS

IR

Vibrations