Geometry & MOs

Info

ID:	242323
PubChem CID:	96099855
Reduced:	O3N4C16H20 (1)
Stoich.:	A3B4C16D20 (1)
Weight, g/mol:	249.111341
ΔH_f, kcal/mol:	-66.59
Dipole, Da:	5.1
IP(EA), eV:	-9.23(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[5-hydroxy-2-(methylaminomethyl)benzimidazol-1-yl]propanoic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C(=O)N1)C(=O)N2CCC[C@@H]2C3=NOC(=N3)C(C)C

DOS

IR

Vibrations