Geometry & MOs

Info

ID:	289163
PubChem CID:	104338054
Reduced:	OSN3C14H19 (1)
Stoich.:	ABC3D14E19 (1)
Weight, g/mol:	281.073118
ΔH_f, kcal/mol:	-0.15
Dipole, Da:	2.74
IP(EA), eV:	-8.91(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(4-chloro-2-fluorophenyl)-2-(ethoxymethyl)pyrimidin-4-amine

Drug info:

PubChemData

Smile

CCNC1=NC(=NC(=C1)C2=C(C=CS2)C)COCC

DOS

IR

Vibrations