Geometry & MOs

Info

ID:	329786
PubChem CID:	127246653
Reduced:	ON5C17H23 (1)
Stoich.:	AB5C17D23 (1)
Weight, g/mol:	464.233602
ΔH_f, kcal/mol:	5.42
Dipole, Da:	6.35
IP(EA), eV:	-9.36(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[4-[(5-fluoropyridin-2-yl)amino]-6-methylpyrimidin-2-yl]piperidin-1-yl]-N-(5-methoxy-2-methylphenyl)acetamide

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)C2CCN(C2)C(=O)CCC3=CC=NN3C)C

DOS

IR

Vibrations