Geometry & MOs

Info

ID:	35565
PubChem CID:	7980040
Reduced:	N2O2C21H26 (1)
Stoich.:	A2B2C21D26 (1)
Weight, g/mol:	244.206525
ΔH_f, kcal/mol:	-51.5
Dipole, Da:	2.44
IP(EA), eV:	-9.39(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H](CC(=O)NNC(=O)C1=CC=C(C=C1)C(C)(C)C)C2=CC=CC=C2

DOS

IR

Vibrations