Geometry & MOs

Info

ID:	122921
PubChem CID:	50826696
Reduced:	FO3N4H17C24 (1)
Stoich.:	AB3C4D17E24 (1)
Weight, g/mol:	408.195011
ΔH_f, kcal/mol:	-32.48
Dipole, Da:	3.97
IP(EA), eV:	-8.46(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dimethylphenyl)-3-[[5-(3-methylphenyl)pyrimidin-2-yl]amino]benzamide

Drug info:

PubChemData

Smile

C1OC2=C(O1)C=C(C=C2)NC(=O)C3=CC(=CC=C3)NC4=NC=C(C=N4)C5=CC=C(C=C5)F

DOS

IR

Vibrations