Geometry & MOs

Info

ID:	289109
PubChem CID:	104336239
Reduced:	ClOF2N3H12C13 (1)
Stoich.:	ABC2D3E12F13 (1)
Weight, g/mol:	257.12949
ΔH_f, kcal/mol:	-81.33
Dipole, Da:	3.09
IP(EA), eV:	-9.48(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-2-(ethoxymethyl)-N-(2-methylbutyl)pyrimidin-4-amine

Drug info:

PubChemData

Smile

COCC1=NC(=CC(=N1)Cl)NCC2=C(C=C(C=C2)F)F

DOS

IR

Vibrations