Geometry & MOs

Info

ID:	289108
PubChem CID:	104336230
Reduced:	ClON3C13H20 (1)
Stoich.:	ABC3D13E20 (1)
Weight, g/mol:	299.063696
ΔH_f, kcal/mol:	-33.91
Dipole, Da:	7.15
IP(EA), eV:	-8.94(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-N-[(2,4-difluorophenyl)methyl]-2-(methoxymethyl)pyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1CCCN(C1C)C2=CC(=NC(=N2)COC)Cl

DOS

IR

Vibrations