Geometry & MOs

Info

ID:	289119
PubChem CID:	104336717
Reduced:	ClON3C15H18 (1)
Stoich.:	ABC3D15E18 (1)
Weight, g/mol:	283.054611
ΔH_f, kcal/mol:	-1.43
Dipole, Da:	3.79
IP(EA), eV:	-9.32(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-2-(methoxymethyl)-N-[(4-methylthiophen-3-yl)methyl]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CCNC2=CC(=NC(=N2)COC)Cl

DOS

IR

Vibrations