Geometry & MOs

Info

ID:	140870
PubChem CID:	52775249
Reduced:	N2O3C21H26 (1)
Stoich.:	A2B3C21D26 (1)
Weight, g/mol:	355.202168
ΔH_f, kcal/mol:	-79.36
Dipole, Da:	5.16
IP(EA), eV:	-8.69(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(1R)-2-(2,3-dihydro-1,4-benzodioxine-5-carbonylamino)-1-(4-ethylphenyl)ethyl]-dimethylazanium

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)[C@@H](CNC(=O)C2=C3C(=CC=C2)OCCO3)N(C)C

DOS

IR

Vibrations