Geometry & MOs

Info

ID:	289118
PubChem CID:	104336695
Reduced:	ClON4C13H21 (1)
Stoich.:	ABC4D13E21 (1)
Weight, g/mol:	291.11384
ΔH_f, kcal/mol:	-18.28
Dipole, Da:	4.65
IP(EA), eV:	-8.94(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-2-(methoxymethyl)-N-[2-(2-methylphenyl)ethyl]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CN1CCCC1CN(C)C2=CC(=NC(=N2)COC)Cl

DOS

IR

Vibrations