Geometry & MOs

Info

ID:	291930
PubChem CID:	113859658
Reduced:	BrFN3C13H13 (1)
Stoich.:	ABC3D13E13 (1)
Weight, g/mol:	244.182715
ΔH_f, kcal/mol:	7.21
Dipole, Da:	4.3
IP(EA), eV:	-9.41(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1E)-cycloocten-1-yl]-2-(3-methylphenyl)ethanol

Drug info:

PubChemData

Smile

CC(C)C1=C(N=CN=C1N)C2=C(C(=CC=C2)Br)F

DOS

IR

Vibrations