Geometry & MOs

Info

ID:	289110
PubChem CID:	104336297
Reduced:	ClON3C12H20 (1)
Stoich.:	ABC3D12E20 (1)
Weight, g/mol:	303.038624
ΔH_f, kcal/mol:	-40.95
Dipole, Da:	4.26
IP(EA), eV:	-9.24(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-2-(methoxymethyl)-N-(3,4,5-trifluorophenyl)pyrimidin-4-amine

Drug info:

PubChemData

Smile

CCC(C)CNC1=CC(=NC(=N1)COCC)Cl

DOS

IR

Vibrations