Geometry & MOs

Info

ID:	323774
PubChem CID:	126676134
Reduced:	FN3O4C20H20 (1)
Stoich.:	AB3C4D20E20 (1)
Weight, g/mol:	274.111756
ΔH_f, kcal/mol:	-120.88
Dipole, Da:	4.87
IP(EA), eV:	-9.51(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-fluorophenyl)methyl]-N,5-dimethyl-2-oxopyridine-3-carboxamide

Drug info:

PubChemData

Smile

CCO[C@@H]1CC1=NC(=O)C2=CN(C(=O)C(=C2)C(=O)NC)CC3=CC=C(C=C3)F

DOS

IR

Vibrations