Geometry & MOs

Info

ID:	409514
PubChem CID:	135082296
Reduced:	NO3H11C12 (1)
Stoich.:	AB3C11D12 (1)
Weight, g/mol:	279.089543
ΔH_f, kcal/mol:	-68.91
Dipole, Da:	5.68
IP(EA), eV:	-9.73(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C[C@@H]1[C@@H](OC(=O)N1C=C=O)C2=CC=CC=C2

DOS

IR

Vibrations