Geometry & MOs

Info

ID:	439276
PubChem CID:	135229043
Reduced:	O3N4C20H28 (1)
Stoich.:	A3B4C20D28 (1)
Weight, g/mol:	286.179361
ΔH_f, kcal/mol:	-59.94
Dipole, Da:	6.29
IP(EA), eV:	-8.69(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(6-methylpyridin-2-yl)methoxy]-N-pentylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CCC[C@@H](CO)NC1=NC(=NC=C1OCC2=NC=C(C(=C2C)OC)C)C=C

DOS

IR

Vibrations