Geometry & MOs

Info

ID:	289117
PubChem CID:	104336692
Reduced:	ClO2N4C13H17 (1)
Stoich.:	AB2C4D13E17 (1)
Weight, g/mol:	284.140389
ΔH_f, kcal/mol:	-10.37
Dipole, Da:	3.12
IP(EA), eV:	-9.37(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-2-(methoxymethyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CCOCC1=NC(=CC(=N1)Cl)NCC2=C(ON=C2C)C

DOS

IR

Vibrations