Geometry & MOs

Info

ID:	242408
PubChem CID:	96099943
Reduced:	O3N4C13H18 (1)
Stoich.:	A3B4C13D18 (1)
Weight, g/mol:	292.153541
ΔH_f, kcal/mol:	-83.83
Dipole, Da:	11.61
IP(EA), eV:	-9.3(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-[(2R)-3-amino-2-hydroxypropyl]-2-(methylaminomethyl)benzimidazole-5-carboxylate

Drug info:

PubChemData

Smile

CNCC1=NC2=C(N1C[C@H](CN)O)C=CC(=C2)C(=O)O

DOS

IR

Vibrations