Geometry & MOs

Info

ID:	315898
PubChem CID:	126629361
Reduced:	FNO3H24C25 (1)
Stoich.:	ABC3D24E25 (1)
Weight, g/mol:	394.169271
ΔH_f, kcal/mol:	-98.35
Dipole, Da:	4.79
IP(EA), eV:	-8.69(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethoxy-N-[(3-fluoro-4-methylphenyl)methyl]-5-[4-(hydroxymethyl)pyridin-3-yl]benzamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)CNC(=O)C2=C(C=CC(=C2)C3=CC=CC=C3O)OCC4CC4)F

DOS

IR

Vibrations