Geometry & MOs

Info

ID:	436294
PubChem CID:	135198240
Reduced:	FO3N6C33H33 (1)
Stoich.:	AB3C6D33E33 (1)
Weight, g/mol:	349.112564
ΔH_f, kcal/mol:	-69.98
Dipole, Da:	10.8
IP(EA), eV:	-8.17(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2,4-difluorophenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

CCCN1C=C(C2=C(N=CN=C21)N)C3=CC=C(C=C3)NC(=O)C4=CN(C=C(C4=O)C5=CC=C(C=C5)F)CC6CCOCC6

DOS

IR

Vibrations