Geometry & MOs

Info

ID:	421131
PubChem CID:	135115425
Reduced:	N3O3C14H15 (1)
Stoich.:	A3B3C14D15 (1)
Weight, g/mol:	404.185983
ΔH_f, kcal/mol:	-32.12
Dipole, Da:	1.34
IP(EA), eV:	-9.99(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,2-oxazole-4-carboxamide

Drug info:

PubChemData

Smile

C1[C@H]([C@@H](CO1)NC(=O)C2=NOC=C2)CC3=CC=NC=C3

DOS

IR

Vibrations