Geometry & MOs

Info

ID:	391559
PubChem CID:	135006492
Reduced:	ClOF3N3C28H29 (1)
Stoich.:	ABC3D3E28F29 (1)
Weight, g/mol:	370.190595
ΔH_f, kcal/mol:	-155.48
Dipole, Da:	5.63
IP(EA), eV:	-9.33(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(6-anilino-2-piperidin-1-ylpyrimidin-4-yl)amino]benzonitrile

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)C)N(CC2=CC=C(C=C2)Cl)C(C3=CC(=CC=C3)C(F)(F)F)C(=O)C4CCCCC4

DOS

IR

Vibrations