Geometry & MOs

Info

ID:	65547
PubChem CID:	46386609
Reduced:	F2N3O3H17C24 (1)
Stoich.:	A2B3C3D17E24 (1)
Weight, g/mol:	411.158292
ΔH_f, kcal/mol:	-95.62
Dipole, Da:	7.24
IP(EA), eV:	-9.28(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC(=CC=C1)OC2=NC(=NC=C2)C3=CC(=CC=C3)C(=O)NC4=CC(=CC(=C4)F)F

DOS

IR

Vibrations