Geometry & MOs

Info

ID:	141295
PubChem CID:	52855302
Reduced:	ON4C21H22 (1)
Stoich.:	AB4C21D22 (1)
Weight, g/mol:	316.173511
ΔH_f, kcal/mol:	70.08
Dipole, Da:	1.78
IP(EA), eV:	-8.93(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(3-methoxy-4-methylsulfanylphenyl)methyl-methyl-[(1S)-1-phenylpropyl]azanium

Drug info:

PubChemData

Smile

C1C[C@H](C2=CC=CC=C2C1)N(CN3C(=O)C4=CC=CC=C4N=N3)C5CC5

DOS

IR

Vibrations