Geometry & MOs

Info

ID:	65481
PubChem CID:	46386543
Reduced:	N3O4H27C28 (1)
Stoich.:	A3B4C27D28 (1)
Weight, g/mol:	425.173942
ΔH_f, kcal/mol:	-50.7
Dipole, Da:	7.22
IP(EA), eV:	-8.72(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCOC1=CC=C(C=C1)CNC(=O)C2=CC=CC(=C2)C3=NC=CC(=N3)OC4=CC=C(C=C4)OC

DOS

IR

Vibrations