Geometry & MOs

Info

ID:	410332
PubChem CID:	135083125
Reduced:	NO2C26H29 (1)
Stoich.:	AB2C26D29 (1)
Weight, g/mol:	315.98933
ΔH_f, kcal/mol:	-45.15
Dipole, Da:	4.24
IP(EA), eV:	-8.29(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1[C@@H]([C@@H](C2=CC=CC=C21)N/C=C\3/C=CC=C(C3=O)C45CC6CC(C4)CC(C6)C5)O

DOS

IR

Vibrations