Geometry & MOs

Info

ID:	430686
PubChem CID:	135170752
Reduced:	O2N3H23C24 (1)
Stoich.:	A2B3C23D24 (1)
Weight, g/mol:	225.136493
ΔH_f, kcal/mol:	51.51
Dipole, Da:	4.48
IP(EA), eV:	-8.77(-0.72)
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) 2-methylpropanoate

Drug info:

PubChemData

Smile

C1CN(CCC1OC2=CC=C(C=C2)C3=CC4=CC=CC=C4N=C3)C(=O)CC5C=N5

DOS

IR

Vibrations