Geometry & MOs

Info

ID:	83510
PubChem CID:	49857679
Reduced:	OC11H15 (2)
Stoich.:	AB11C15 (2)
Weight, g/mol:	328.124801
ΔH_f, kcal/mol:	-81.52
Dipole, Da:	0.57
IP(EA), eV:	-8.4(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-N-[[4-[[(2-fluoropyrimidin-4-yl)amino]methyl]phenyl]methyl]pyrimidin-4-amine

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@@H]2[C@](CCCC2(C)C)(C3=C1OC4=C3C=C(C=C4)OC)C

DOS

IR

Vibrations