Geometry & MOs

Info

ID:	120722
PubChem CID:	50742187
Reduced:	O5C11H18 (1)
Stoich.:	A5B11C18 (1)
Weight, g/mol:	406.207885
ΔH_f, kcal/mol:	-217.54
Dipole, Da:	3.23
IP(EA), eV:	-10.06(0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl-[1-[(1R,2S,3R,6S)-3-methyl-4-oxo-2,6-diphenylcyclohexyl]propylidene]azanium;thiocyanate

Drug info:

PubChemData

Smile

CC12CCC(O1)C(C2C(=O)OC)(OC)OC

DOS

IR

Vibrations