Geometry & MOs

Info

ID:	289149
PubChem CID:	104337593
Reduced:	ClON3C13H14 (1)
Stoich.:	ABC3D13E14 (1)
Weight, g/mol:	258.148061
ΔH_f, kcal/mol:	10.43
Dipole, Da:	3.47
IP(EA), eV:	-9.18(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(methoxymethyl)-N-propyl-6-pyridin-4-ylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CNC1=NC(=NC(=C1)C2=CC=CC=C2Cl)COC

DOS

IR

Vibrations