Geometry & MOs

Info

ID:	121841
PubChem CID:	50783425
Reduced:	ClON6C25H25 (1)
Stoich.:	ABC6D25E25 (1)
Weight, g/mol:	366.148061
ΔH_f, kcal/mol:	77.9
Dipole, Da:	10.83
IP(EA), eV:	-8.99(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-phenyl-4-[(6-phenylpyrimidin-4-yl)amino]benzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CNC(=O)C2CCN(CC2)C3=NN4C(=NN=C4C5=CC=CC=C5Cl)C=C3

DOS

IR

Vibrations