Geometry & MOs

Info

ID:	369795
PubChem CID:	127335746
Reduced:	OF2N4C19H24 (1)
Stoich.:	AB2C4D19E24 (1)
Weight, g/mol:	359.268511
ΔH_f, kcal/mol:	-96.91
Dipole, Da:	4.92
IP(EA), eV:	-9.09(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(3-methylpiperidin-1-yl)-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]pyrimidin-4-amine

Drug info:

PubChemData

Smile

C1CN(CCC1NC2=NC(=NC3=CC=CC=C32)C(F)F)CC4CCOC4

DOS

IR

Vibrations