Geometry & MOs

Info

ID:	375605
PubChem CID:	134214090
Reduced:	FON6H25C26 (1)
Stoich.:	ABC6D25E26 (1)
Weight, g/mol:	368.23246
ΔH_f, kcal/mol:	30.65
Dipole, Da:	3.26
IP(EA), eV:	-9.23(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[methyl-[5-[6-(propylamino)pyrimidin-4-yl]pyridin-2-yl]amino]piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CNC(=O)C1=CC=NC2=C(C=CC(=C12)F)CCNC3=NC=NC(=C3)C4=CN=C(C=C4)C5CCC5

DOS

IR

Vibrations