Geometry & MOs

Info

ID:	231422
PubChem CID:	87573667
Reduced:	NO2C9H10 (2)
Stoich.:	AB2C9D10 (2)
Weight, g/mol:	451.324362
ΔH_f, kcal/mol:	-91.47
Dipole, Da:	9.54
IP(EA), eV:	-9.51(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C#CCO[C@@H]1CC2=CC=CC=C2[C@@H]1NC(=O)[C@@H]3CCCN3C(=O)O

DOS

IR

Vibrations