Geometry & MOs

Info

ID:	242415
PubChem CID:	96099950
Reduced:	O3N4C18H20 (1)
Stoich.:	A3B4C18D20 (1)
Weight, g/mol:	249.15896
ΔH_f, kcal/mol:	-0.81
Dipole, Da:	2.57
IP(EA), eV:	-9.47(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-amino-3-[5-amino-2-(methylaminomethyl)benzimidazol-1-yl]propan-2-ol

Drug info:

PubChemData

Smile

CC(C)C1=NC(=NO1)[C@H]2CCCN2C(=O)CC3=NOC4=CC=CC=C43

DOS

IR

Vibrations