Geometry & MOs

Info

ID:	319328
PubChem CID:	126655670
Reduced:	IN2O2C7H9 (1)
Stoich.:	AB2C2D7E9 (1)
Weight, g/mol:	365.02364
ΔH_f, kcal/mol:	-17.87
Dipole, Da:	1.89
IP(EA), eV:	-9.54(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 6-hydroxy-2-iodo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carboxylate

Drug info:

PubChemData

Smile

C1[C@@H]([C@@H](CO1)O)N2C=CC(=N2)I

DOS

IR

Vibrations