Geometry & MOs

Info

ID:	120884
PubChem CID:	50748427
Reduced:	BrSO2N5C17H22 (1)
Stoich.:	ABC2D5E17F22 (1)
Weight, g/mol:	401.221561
ΔH_f, kcal/mol:	-17.5
Dipole, Da:	2.19
IP(EA), eV:	-8.64(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-N-[4-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]benzamide

Drug info:

PubChemData

Smile

CC1=NC(=CC(=N1)N(C)C)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Br

DOS

IR

Vibrations