Geometry & MOs

Info

ID:	242402
PubChem CID:	96099936
Reduced:	O3N4C14H22 (1)
Stoich.:	A3B4C14D22 (1)
Weight, g/mol:	292.153541
ΔH_f, kcal/mol:	-74.65
Dipole, Da:	1.06
IP(EA), eV:	-8.11(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-amino-3-[2-(methylaminomethyl)-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl]propan-2-ol

Drug info:

PubChemData

Smile

CNCC1=NC2=CC(=C(C=C2N1C[C@@H](CN)O)OC)OC

DOS

IR

Vibrations