Geometry & MOs

Info

ID:	242329
PubChem CID:	96099861
Reduced:	O3N4C16H20 (1)
Stoich.:	A3B4C16D20 (1)
Weight, g/mol:	291.121906
ΔH_f, kcal/mol:	-58.35
Dipole, Da:	2.04
IP(EA), eV:	-9.16(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-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)CN3C=CC=CC3=O

DOS

IR

Vibrations