Geometry & MOs

Info

ID:	201843
PubChem CID:	79592098
Reduced:	BrFNC14H17 (1)
Stoich.:	ABCD14E17 (1)
Weight, g/mol:	294.081143
ΔH_f, kcal/mol:	0.26
Dipole, Da:	1.85
IP(EA), eV:	-9.03(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-bicyclo[4.2.0]octa-1,3,5-trienyl-(4-chloronaphthalen-1-yl)methanol

Drug info:

PubChemData

Smile

C1CC1NCCC=CCC2=C(C=CC(=C2)F)Br

DOS

IR

Vibrations