Geometry & MOs

Info

ID:	296502
PubChem CID:	117579898
Reduced:	N2O4C13H18 (1)
Stoich.:	A2B4C13D18 (1)
Weight, g/mol:	221.116427
ΔH_f, kcal/mol:	-153.48
Dipole, Da:	4.55
IP(EA), eV:	-8.38(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3H-benzimidazol-5-ylmethylamino)propane-1,3-diol

Drug info:

PubChemData

Smile

CC1C(=O)N(C2=C(O1)C=CC(=C2)NC)C(CO)CO

DOS

IR

Vibrations