Geometry & MOs

Info

ID:	242404
PubChem CID:	96099939
Reduced:	ON3C8H9 (2)
Stoich.:	AB3C8D9 (2)
Weight, g/mol:	292.153541
ΔH_f, kcal/mol:	43.92
Dipole, Da:	4.84
IP(EA), eV:	-9.35(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C1=NC(=NO1)[C@@H]2CCCN2C(=O)C3=CN4C=CC=NC4=N3

DOS

IR

Vibrations