Geometry & MOs

Info

ID:	65516
PubChem CID:	46386578
Reduced:	N3O3H23C26 (1)
Stoich.:	A3B3C23D26 (1)
Weight, g/mol:	425.173942
ΔH_f, kcal/mol:	0.63
Dipole, Da:	4.56
IP(EA), eV:	-9.08(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC=C1OC2=NC(=NC=C2)C3=CC(=CC=C3)C(=O)NCCC4=CC=CC=C4

DOS

IR

Vibrations