Geometry & MOs

Info

ID:	205694
PubChem CID:	80136340
Reduced:	O2N4C11H20 (1)
Stoich.:	A2B4C11D20 (1)
Weight, g/mol:	261.12774
ΔH_f, kcal/mol:	-66.21
Dipole, Da:	3.39
IP(EA), eV:	-8.89(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5-fluoro-2-methoxyphenyl)-N-propylpyrimidin-2-amine

Drug info:

PubChemData

Smile

CCC(COC)NC1=C(C(=NC=N1)OCC)N

DOS

IR

Vibrations