Geometry & MOs

Info

ID:	48488
PubChem CID:	10587478
Reduced:	FNO3H12C14 (1)
Stoich.:	ABC3D12E14 (1)
Weight, g/mol:	262.058971
ΔH_f, kcal/mol:	-121.37
Dipole, Da:	9.2
IP(EA), eV:	-9.6(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-hydroxy-6,8-dimethyl-7-nitro-1H-1-benzazepine-2,3-dione

Drug info:

PubChemData

Smile

CC1=C(C=CC2=C1N(C=C(C2=O)C(=O)O)C3CC3)F

DOS

IR

Vibrations