Geometry & MOs

Info

ID:	39585
PubChem CID:	8141457
Reduced:	O2S2N5C18H25 (1)
Stoich.:	A2B2C5D18E25 (1)
Weight, g/mol:	383.220892
ΔH_f, kcal/mol:	-2.59
Dipole, Da:	7.42
IP(EA), eV:	-8.5(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 1-ethyl-2,5-dimethylpyrrole-3-carboxylate

Drug info:

PubChemData

Smile

CCCNC1=NN=C(S1)SCC(=O)N2CCN(CC2)C3=CC=C(C=C3)OC

DOS

IR

Vibrations