Geometry & MOs

Info

ID:	122914
PubChem CID:	50826549
Reduced:	ON7C25H27 (1)
Stoich.:	AB7C25D27 (1)
Weight, g/mol:	440.184841
ΔH_f, kcal/mol:	84.14
Dipole, Da:	3.74
IP(EA), eV:	-8.83(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN(C2=NC=C(C(=C12)NCC3=CC=CC=C3)C(=O)N4CCN(CC4)C5=CC=CC=N5)C

DOS

IR

Vibrations