Geometry & MOs

Info

ID:	361414
PubChem CID:	127303312
Reduced:	N2C5H8 (3)
Stoich.:	A2B5C8 (3)
Weight, g/mol:	311.210996
ΔH_f, kcal/mol:	40.54
Dipole, Da:	2.47
IP(EA), eV:	-8.41(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-ethylpiperidin-2-yl)methyl]-6-methyl-2-pyridin-2-ylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CCN1CCCCC1CNC2=C3C(=NC=N2)N(C=N3)CC

DOS

IR

Vibrations