Geometry & MOs

Info

ID:	398054
PubChem CID:	135031534
Reduced:	SF3N3H12C18 (1)
Stoich.:	AB3C3D12E18 (1)
Weight, g/mol:	315.183444
ΔH_f, kcal/mol:	-56.36
Dipole, Da:	4.26
IP(EA), eV:	-8.54(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[2-(5-oxo-5-phenylpentyl)-3,4-dihydro-2H-pyrrol-5-yl]acetate

Drug info:

PubChemData

Smile

CSC1=NC=CC2=C(C3=C(N21)N=CC=C3)C4=CC=C(C=C4)C(F)(F)F

DOS

IR

Vibrations