Geometry & MOs

Info

ID:	417803
PubChem CID:	135102782
Reduced:	S2N4O4C11H18 (1)
Stoich.:	A2B4C4D11E18 (1)
Weight, g/mol:	233.152812
ΔH_f, kcal/mol:	-137.02
Dipole, Da:	5.71
IP(EA), eV:	-9.2(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-1-(2-methylpyridin-4-yl)pyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1CN(C[C@H]1O)C(=O)C2=CN=C(S2)N

DOS

IR

Vibrations