Geometry & MOs

Info

ID:	35621
PubChem CID:	7980108
Reduced:	NC17H25 (1)
Stoich.:	AB17C25 (1)
Weight, g/mol:	278.212004
ΔH_f, kcal/mol:	5.94
Dipole, Da:	1.56
IP(EA), eV:	-8.88(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(3,4-dimethoxyphenyl)methyl-[(1S,2S,3S)-2,3-dimethylcyclohexyl]azanium

Drug info:

PubChemData

Smile

C[C@H]1CCC[C@@H]([C@H]1C)NC/C=C/C2=CC=CC=C2

DOS

IR

Vibrations