Geometry & MOs

Info

ID:	55230
PubChem CID:	17389928
Reduced:	SN3O4C10H13 (1)
Stoich.:	AB3C4D10E13 (1)
Weight, g/mol:	249.100108
ΔH_f, kcal/mol:	-126.3
Dipole, Da:	4.85
IP(EA), eV:	-8.77(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=CN=C(N2)N.OS(=O)(=O)O

DOS

IR

Vibrations