Geometry & MOs

Info

ID:	228459
PubChem CID:	87564583
Reduced:	C13O13H20 (1)
Stoich.:	A13B13C20 (1)
Weight, g/mol:	281.093104
ΔH_f, kcal/mol:	-554.08
Dipole, Da:	8.02
IP(EA), eV:	-10.18(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine

Drug info:

PubChemData

Smile

CC(=O)[C@@H]([C@H]([C@@H]([C@@H](C(=O)O)O)O)O)OC(=O)[C@H]([C@H]([C@@H]([C@H](C=O)O)O)O)O

DOS

IR

Vibrations