Geometry & MOs

Info

ID:	65519
PubChem CID:	46386581
Reduced:	ClN3O3H20C25 (1)
Stoich.:	AB3C3D20E25 (1)
Weight, g/mol:	441.168856
ΔH_f, kcal/mol:	-3.4
Dipole, Da:	1.89
IP(EA), eV:	-8.95(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC=C1OC2=NC(=NC=C2)C3=CC(=CC=C3)C(=O)NCC4=CC=C(C=C4)Cl

DOS

IR

Vibrations