Geometry & MOs

Info

ID:	289106
PubChem CID:	104336189
Reduced:	ClFON3C13H13 (1)
Stoich.:	ABCD3E13F13 (1)
Weight, g/mol:	291.11384
ΔH_f, kcal/mol:	-27.09
Dipole, Da:	5.03
IP(EA), eV:	-9.28(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-N-(4-ethylphenyl)-2-(methoxymethyl)-N-methylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CN(C1=CC=C(C=C1)F)C2=CC(=NC(=N2)COC)Cl

DOS

IR

Vibrations