Geometry & MOs

Info

ID:	242332
PubChem CID:	96099864
Reduced:	O2N3C17H25 (1)
Stoich.:	A2B3C17D25 (1)
Weight, g/mol:	291.121906
ΔH_f, kcal/mol:	-46.65
Dipole, Da:	5.31
IP(EA), eV:	-9.3(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[2-(methylaminomethyl)-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl]propanoic acid

Drug info:

PubChemData

Smile

CC(C)C1=NC(=NO1)[C@H]2CCCN2C(=O)CC3=CCCCC3

DOS

IR

Vibrations