Geometry & MOs

Info

ID:	296505
PubChem CID:	117580128
Reduced:	N3O3C12H17 (1)
Stoich.:	A3B3C12D17 (1)
Weight, g/mol:	235.132077
ΔH_f, kcal/mol:	-108.34
Dipole, Da:	4.39
IP(EA), eV:	-8.76(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3H-benzimidazol-5-ylmethyl(methyl)amino]propane-1,3-diol

Drug info:

PubChemData

Smile

CN(CC1=CC2=C(C=C1)NC(=O)N2)C(CO)CO

DOS

IR

Vibrations