Geometry & MOs

Info

ID:	387931
PubChem CID:	134987449
Reduced:	Cl2N2F3C5H7 (1)
Stoich.:	A2B2C3D5E7 (1)
Weight, g/mol:	227.03096
ΔH_f, kcal/mol:	-152.63
Dipole, Da:	3.73
IP(EA), eV:	-8.31(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(Z)-1-bromo-1-isocyanoprop-1-en-2-yl]cyclohexane

Drug info:

PubChemData

Smile

C/C=C(/[NH+]=C(\C(F)(F)F)/N)\Cl.[Cl-]

DOS

IR

Vibrations