Geometry & MOs

Info

ID:	145872
PubChem CID:	53605765
Reduced:	N3C9H11 (2)
Stoich.:	A3B9C11 (2)
Weight, g/mol:	326.185509
ΔH_f, kcal/mol:	87.17
Dipole, Da:	7.31
IP(EA), eV:	-8.95(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[methyl-(6-methylpyridazin-3-yl)amino]piperidin-1-yl]-(2-methylpyrimidin-4-yl)methanone

Drug info:

PubChemData

Smile

CC(C)C1=NN=C2N1CC(CC2)CNC3=NC4=CC=CC=C4N=C3

DOS

IR

Vibrations