Geometry & MOs

Info

ID:	299352
PubChem CID:	117682717
Reduced:	O15C20H32 (1)
Stoich.:	A15B20C32 (1)
Weight, g/mol:	325.165108
ΔH_f, kcal/mol:	-633.08
Dipole, Da:	2.26
IP(EA), eV:	-10.0(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-(azetidin-1-yl)-6-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrimidin-4-yl]pyrimidin-2-amine

Drug info:

PubChemData

Smile

CC1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3C(OC(C(C3O)O)OC)C=O)C=O)O)O)OC

DOS

IR

Vibrations