Geometry & MOs

Info

ID:	122919
PubChem CID:	50826671
Reduced:	ClON6C28H31 (1)
Stoich.:	ABC6D28E31 (1)
Weight, g/mol:	414.124739
ΔH_f, kcal/mol:	51.01
Dipole, Da:	2.69
IP(EA), eV:	-8.58(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chlorophenyl)-3-[[5-(3-methylphenyl)pyrimidin-2-yl]amino]benzamide

Drug info:

PubChemData

Smile

CC1=NN(C2=NC=C(C(=C12)NCC3=CC=C(C=C3)Cl)C(=O)NCCN4CCCCC4)C5=CC=CC=C5

DOS

IR

Vibrations