Geometry & MOs

Info

ID:	400119
PubChem CID:	135045619
Reduced:	OSN3H11C13 (1)
Stoich.:	ABC3D11E13 (1)
Weight, g/mol:	270.00556
ΔH_f, kcal/mol:	48.91
Dipole, Da:	6.08
IP(EA), eV:	-9.39(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-bromocyclohex-2-en-1-yl)oxy-4-fluorobenzene

Drug info:

PubChemData

Smile

CC1(C2=C(C=CC(=C2)C#N)N(C1=O)C)CSC#N

DOS

IR

Vibrations