Geometry & MOs

Info

ID:	381332
PubChem CID:	134972036
Reduced:	BrFeO3H17C21 (1)
Stoich.:	ABC3D17E21 (1)
Weight, g/mol:	272.09094
ΔH_f, kcal/mol:	66.21
Dipole, Da:	4.19
IP(EA), eV:	-9.05(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,3S,6R)-3-methyl-6-nitro-7-phenyl-9-oxa-4,8,10-triazatricyclo[4.3.1.03,10]deca-4,7-diene

Drug info:

PubChemData

Smile

C1[C@H]([C@@H](OC1=O)C2=C[CH]C=C2)C(=O)C3=CC=C(C=C3)Br.C1=C[CH]C=C1.[Fe]

DOS

IR

Vibrations