Geometry & MOs

Info

ID:	401402
PubChem CID:	135051177
Reduced:	NPCl4O4H20C27 (1)
Stoich.:	ABC4D4E20F27 (1)
Weight, g/mol:	281.162708
ΔH_f, kcal/mol:	81.78
Dipole, Da:	11.95
IP(EA), eV:	-10.06(-2.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[4-(2-ethoxy-2-oxoethyl)-2,5-dimethyl-1H-pyrrol-3-yl]propanoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)/C(=N/C(=C(Cl)Cl)P(C2=CC=CC=C2)(C3=CC=CC=C3)(C4=CC=CC=C4)OCl(=O)(=O)=O)/Cl

DOS

IR

Vibrations