Geometry & MOs

Info

ID:	294089
PubChem CID:	117426957
Reduced:	FNOSC14H20 (1)
Stoich.:	ABCDE14F20 (1)
Weight, g/mol:	269.177964
ΔH_f, kcal/mol:	-80.94
Dipole, Da:	1.69
IP(EA), eV:	-8.82(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,3-dimethylcyclohexyl)-4-(1-isocyanatocyclopropyl)benzene

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1SC)F)C2(CCCCC2)N

DOS

IR

Vibrations