Geometry & MOs

Info

ID:	65560
PubChem CID:	46386623
Reduced:	ClN3O3H22C26 (1)
Stoich.:	AB3C3D22E26 (1)
Weight, g/mol:	425.173942
ΔH_f, kcal/mol:	-16.57
Dipole, Da:	6.02
IP(EA), eV:	-9.21(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC(=CC=C1)OC2=NC(=NC=C2)C3=CC(=CC=C3)C(=O)NCCC4=CC=C(C=C4)Cl

DOS

IR

Vibrations