Geometry & MOs

Info

ID:	35619
PubChem CID:	7980106
Reduced:	ClON2C17H19 (1)
Stoich.:	ABC2D17E19 (1)
Weight, g/mol:	244.206525
ΔH_f, kcal/mol:	-9.48
Dipole, Da:	2.43
IP(EA), eV:	-9.83(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H]1CCCC[C@@H]1NC(=O)/C(=C/C2=CC(=CC=C2)Cl)/C#N

DOS

IR

Vibrations