Geometry & MOs

Info

ID:	317567
PubChem CID:	126643490
Reduced:	N3O3H31C32 (1)
Stoich.:	A3B3C31D32 (1)
Weight, g/mol:	271.065614
ΔH_f, kcal/mol:	-11.29
Dipole, Da:	4.1
IP(EA), eV:	-8.71(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,5-difluoro-4-methoxyphenyl)-2-oxopyrrolidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CN1C2=C(C=C(C=C2)C3=CC=C(C=C3)CN(C4=CC=CC(=C4)/C=C/C(=O)O)C(=O)[C@H]5C[C@H]6CC[C@@H]5C6)C=N1

DOS

IR

Vibrations