Geometry & MOs

Info

ID:	65539
PubChem CID:	46386601
Reduced:	N3O3H19C24 (1)
Stoich.:	A3B3C19D24 (1)
Weight, g/mol:	439.189592
ΔH_f, kcal/mol:	2.32
Dipole, Da:	5.19
IP(EA), eV:	-8.85(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations