Geometry & MOs

Info

ID:	122369
PubChem CID:	50804001
Reduced:	N3O3C23H31 (1)
Stoich.:	A3B3C23D31 (1)
Weight, g/mol:	349.236542
ΔH_f, kcal/mol:	-116.47
Dipole, Da:	3.07
IP(EA), eV:	-8.76(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3,5-dimethyl-4-[3-oxo-3-(4-propylpiperazin-1-yl)propyl]-1H-pyrrole-2-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C(=C(N1)C)CCC(=O)N2CCN(CC2)CC3=CC=CC=C3)C

DOS

IR

Vibrations