Geometry & MOs

Info

ID:	394584
PubChem CID:	135023258
Reduced:	O3C30H34 (1)
Stoich.:	A3B30C34 (1)
Weight, g/mol:	139.04557
ΔH_f, kcal/mol:	-71.94
Dipole, Da:	4.94
IP(EA), eV:	-8.78(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclohexen-1-yl thiocyanate

Drug info:

PubChemData

Smile

C1CC2=C(C1)C(=O)CC3CCC(CC3=C2)(COCC4=CC=CC=C4)COCC5=CC=CC=C5

DOS

IR

Vibrations