Geometry & MOs

Info

ID:	410333
PubChem CID:	135083126
Reduced:	BBrO2F4C9H10 (1)
Stoich.:	ABC2D4E9F10 (1)
Weight, g/mol:	228.98642
ΔH_f, kcal/mol:	-364.35
Dipole, Da:	12.35
IP(EA), eV:	-9.98(-2.51)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(5-bromo-2-methoxycyclohepta-2,4,6-trien-1-ylidene)-methyloxidanium

Drug info:

PubChemData

Smile

[B-](F)(F)(F)F.COC1=CC=C(C=CC1=[O+]C)Br

DOS

IR

Vibrations