Geometry & MOs

Info

ID:	49548
PubChem CID:	11533217
Reduced:	N3O3H25C31 (1)
Stoich.:	A3B3C25D31 (1)
Weight, g/mol:	487.200825
ΔH_f, kcal/mol:	28.49
Dipole, Da:	2.79
IP(EA), eV:	-9.2(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-N-(3-phenylmethoxyphenyl)-3-[(3-pyrimidin-4-ylpyridin-2-yl)amino]benzamide

Drug info:

PubChemData

Smile

COC1=C(C2=CC=CC=C2N=C1C3=CC=CC=C3)C(=O)NN(C4=CC=CC=C4)C(=O)CC5=CC=CC=C5

DOS

IR

Vibrations