Geometry & MOs

Info

ID:	228058
PubChem CID:	87563295
Reduced:	N3O5C11H13 (1)
Stoich.:	A3B5C11D13 (1)
Weight, g/mol:	269.193682
ΔH_f, kcal/mol:	-142.8
Dipole, Da:	6.18
IP(EA), eV:	-9.56(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C#C[C@]1([C@H](O[C@H]([C@@H]1O)NC2=CC=NC(=O)N2)CO)O

DOS

IR

Vibrations