Geometry & MOs

Info

ID:	418927
PubChem CID:	135107142
Reduced:	O2N5C15H21 (1)
Stoich.:	A2B5C15D21 (1)
Weight, g/mol:	244.133554
ΔH_f, kcal/mol:	-28.25
Dipole, Da:	3.15
IP(EA), eV:	-9.11(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]ethoxy]ethanol

Drug info:

PubChemData

Smile

CC1=CC(=NN1)C[C@@H]2CN(C[C@@H]2O)C(=O)C3=C(N(N=C3)C)C

DOS

IR

Vibrations