Geometry & MOs

Info

ID:	317563
PubChem CID:	126643450
Reduced:	ClF2O4N5C19H20 (1)
Stoich.:	AB2C4D5E19F20 (1)
Weight, g/mol:	249.100108
ΔH_f, kcal/mol:	-163.42
Dipole, Da:	6.05
IP(EA), eV:	-9.31(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-methoxyphenyl)-1-methyl-2-oxopyrrolidine-3-carboxylic acid

Drug info:

PubChemData

Smile

COC1=CC(=C(C(=C1)F)[C@@H]2CN=C([C@H]2NC(=O)NC3=CN=C(C=C3)Cl)NOCCO)F

DOS

IR

Vibrations