Geometry & MOs

Info

ID:	417184
PubChem CID:	135091586
Reduced:	FNO6H14C15 (1)
Stoich.:	ABC6D14E15 (1)
Weight, g/mol:	355.212058
ΔH_f, kcal/mol:	-247.3
Dipole, Da:	4.94
IP(EA), eV:	-9.87(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[4-(2-aminopyrimidin-4-yl)piperidin-1-yl]pyrimidin-4-yl]piperidin-3-ol

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)C(=O)N2C[C@]3(C[C@]3(C2)C(=O)O)C(=O)O)F

DOS

IR

Vibrations