Geometry & MOs

Info

ID:	26155
PubChem CID:	639228
Reduced:	NO2C4H9 (2)
Stoich.:	AB2C4D9 (2)
Weight, g/mol:	188.116092
ΔH_f, kcal/mol:	-194.16
Dipole, Da:	5.62
IP(EA), eV:	-9.59(1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7S,8S,9S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrimidine-7,8,9-triol

Drug info:

PubChemData

Smile

C1CNC(NC1)[C@@H]([C@H]([C@H](CO)O)O)O

DOS

IR

Vibrations