Geometry & MOs

Info

ID:	439400
PubChem CID:	135229174
Reduced:	SF3N5C20H22 (1)
Stoich.:	AB3C5D20E22 (1)
Weight, g/mol:	340.226312
ΔH_f, kcal/mol:	-80.86
Dipole, Da:	11.47
IP(EA), eV:	-8.68(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-[2-(6-prop-1-en-2-ylpyridin-2-yl)ethyl]pyrimidin-4-yl]amino]hexan-1-ol

Drug info:

PubChemData

Smile

CCSC1=C(N=C(N1C)C2=CCCCC2)C3=NC4=CC(=NC=C4N3C)C(F)(F)F

DOS

IR

Vibrations