Geometry & MOs

Info

ID:	289104
PubChem CID:	104336118
Reduced:	ClON4C15H25 (1)
Stoich.:	ABC4D15E25 (1)
Weight, g/mol:	259.108754
ΔH_f, kcal/mol:	-35.3
Dipole, Da:	6.61
IP(EA), eV:	-8.89(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-2-(methoxymethyl)-N-(3-methoxy-2-methylpropyl)pyrimidin-4-amine

Drug info:

PubChemData

Smile

CCN1CCC(CC1)CNC2=CC(=NC(=N2)COCC)Cl

DOS

IR

Vibrations