Geometry & MOs

Info

ID:	122372
PubChem CID:	50804004
Reduced:	N2O3C20H26 (1)
Stoich.:	A2B3C20D26 (1)
Weight, g/mol:	322.189257
ΔH_f, kcal/mol:	-127.06
Dipole, Da:	5.47
IP(EA), eV:	-9.01(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C(=C(N1)C)CCC(=O)NCCC2=CC=CC=C2)C

DOS

IR

Vibrations