Geometry & MOs

Info

ID:	225149
PubChem CID:	85742016
Reduced:	O3C16H26 (1)
Stoich.:	A3B16C26 (1)
Weight, g/mol:	243.050004
ΔH_f, kcal/mol:	-171.91
Dipole, Da:	4.51
IP(EA), eV:	-9.84(0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-morpholin-4-yl-3-thiocyanatopropyl) thiocyanate

Drug info:

PubChemData

Smile

C1CCOC2(CCC(CC2)C3CCC(=O)CC3)OC1

DOS

IR

Vibrations