Geometry & MOs

Info

ID:	65533
PubChem CID:	46386595
Reduced:	N3O3H23C26 (1)
Stoich.:	A3B3C23D26 (1)
Weight, g/mol:	411.158292
ΔH_f, kcal/mol:	-12.23
Dipole, Da:	2.39
IP(EA), eV:	-8.64(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC(=O)C2=CC=CC(=C2)C3=NC=CC(=N3)OC4=CC=CC(=C4)OC

DOS

IR

Vibrations