Geometry & MOs

Info

ID:	430243
PubChem CID:	135170307
Reduced:	NOBr2H17C25 (1)
Stoich.:	ABC2D17E25 (1)
Weight, g/mol:	314.115424
ΔH_f, kcal/mol:	81.81
Dipole, Da:	3.98
IP(EA), eV:	-8.52(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,6S)-8-(methoxymethyl)-4-(2-methoxyphenyl)-10-oxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2=CC=C(C=C2)C=O)N(C3=CC=C(C=C3)Br)C4=CC=C(C=C4)Br

DOS

IR

Vibrations