Geometry & MOs

Info

ID:	315905
PubChem CID:	126629393
Reduced:	FO2N3C22H22 (1)
Stoich.:	AB2C3D22E22 (1)
Weight, g/mol:	421.216555
ΔH_f, kcal/mol:	-71.12
Dipole, Da:	3.4
IP(EA), eV:	-8.56(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)CNC(=O)C2=C(C=CC(=C2)C3=C(C=CN=C3)CO)NC)F

DOS

IR

Vibrations