Geometry & MOs

Info

ID:	289170
PubChem CID:	104338429
Reduced:	OF3N4H11C12 (1)
Stoich.:	AB3C4D11E12 (1)
Weight, g/mol:	326.070116
ΔH_f, kcal/mol:	-110.64
Dipole, Da:	4.07
IP(EA), eV:	-9.1(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-(3,4-dichlorophenyl)-6-N-ethyl-2-(methoxymethyl)pyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

COCC1=NC(=CC(=N1)NC2=C(C(=C(C=C2)F)F)F)N

DOS

IR

Vibrations