Geometry & MOs

Info

ID:	122377
PubChem CID:	50804009
Reduced:	FN3O4C21H22 (1)
Stoich.:	AB3C4D21E22 (1)
Weight, g/mol:	419.242021
ΔH_f, kcal/mol:	-136.79
Dipole, Da:	6.13
IP(EA), eV:	-9.3(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3,5-dimethyl-4-[3-[4-(morpholine-4-carbonyl)piperidin-1-yl]-3-oxopropyl]-1H-pyrrole-2-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C(=C(N1)C)CCC(=O)NC2=CC(=NO2)C3=CC(=CC=C3)F)C

DOS

IR

Vibrations