Geometry & MOs

Info

ID:	22697
PubChem CID:	598379
Reduced:	NO2C3H3 (2)
Stoich.:	AB2C3D3 (2)
Weight, g/mol:	170.032757
ΔH_f, kcal/mol:	-85.41
Dipole, Da:	6.87
IP(EA), eV:	-10.21(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC1=CC(=O)C(=C(N1)O)[N+](=O)[O-]

DOS

IR

Vibrations