Geometry & MOs

Info

ID:	65505
PubChem CID:	46386567
Reduced:	F2N3O3H17C24 (1)
Stoich.:	A2B3C3D17E24 (1)
Weight, g/mol:	411.158292
ΔH_f, kcal/mol:	-89.48
Dipole, Da:	6.26
IP(EA), eV:	-9.26(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(2-methoxyphenoxy)pyrimidin-2-yl]-N-(4-methylphenyl)benzamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1OC2=NC(=NC=C2)C3=CC(=CC=C3)C(=O)NC4=CC(=CC(=C4)F)F

DOS

IR

Vibrations