Geometry & MOs

Info

ID:	193936
PubChem CID:	78458752
Reduced:	O3N4C20H20 (1)
Stoich.:	A3B4C20D20 (1)
Weight, g/mol:	266.175619
ΔH_f, kcal/mol:	-11.56
Dipole, Da:	5.88
IP(EA), eV:	-8.99(-2.1)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[3-(2-acetylphenoxy)-2-hydroxypropyl]-diethylazanium

Drug info:

PubChemData

Smile

C1COCCN1CC(=O)NC2=CC=CC=C2C3C(=O)N=C4C=CC=CC4=N3

DOS

IR

Vibrations