Geometry & MOs

Info

ID:	139976
PubChem CID:	52625286
Reduced:	ON2C21H29 (1)
Stoich.:	AB2C21D29 (1)
Weight, g/mol:	371.233468
ΔH_f, kcal/mol:	4.1
Dipole, Da:	5.49
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.791735
Charge, e:	1

Chem-info

IUPAC name:

[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl]-methyl-[(1S)-1-(4-methylphenyl)ethyl]azanium

Drug info:

PubChemData

Smile

CCN(CC1=CC=CC=C1)C(=O)C[NH+](C)[C@H](C)C2=CC=C(C=C2)C

DOS

IR

Vibrations