Geometry & MOs

Info

ID:	276994
PubChem CID:	103826181
Reduced:	FSN3C11H16 (1)
Stoich.:	ABC3D11E16 (1)
Weight, g/mol:	226.159375
ΔH_f, kcal/mol:	-21.31
Dipole, Da:	3.06
IP(EA), eV:	-8.71(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-ethyl-N-(5-fluoropyrimidin-2-yl)-N'-propylethane-1,2-diamine

Drug info:

PubChemData

Smile

CCSC1CCC(C1)NC2=NC=C(C=N2)F

DOS

IR

Vibrations