Geometry & MOs

Info

ID:	35623
PubChem CID:	7980110
Reduced:	NO2C17H27 (1)
Stoich.:	AB2C17D27 (1)
Weight, g/mol:	244.206525
ΔH_f, kcal/mol:	-83.66
Dipole, Da:	1.3
IP(EA), eV:	-8.22(0.3)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(1R,2S,3S)-2,3-dimethylcyclohexyl]-[(E)-3-phenylprop-2-enyl]azanium

Drug info:

PubChemData

Smile

C[C@H]1CCC[C@@H]([C@H]1C)NCC2=CC(=C(C=C2)OC)OC

DOS

IR

Vibrations