Geometry & MOs

Info

ID:	343240
PubChem CID:	127266413
Reduced:	SO3N5C14H15 (1)
Stoich.:	AB3C5D14E15 (1)
Weight, g/mol:	349.153875
ΔH_f, kcal/mol:	-33.02
Dipole, Da:	7.95
IP(EA), eV:	-8.8(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(1H-benzimidazol-2-yl)ethyl]-N,3,6-trimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CCN1C(=CC2=C(C1=O)C(=NN2)NC(=O)C3=CC(=NS3)OC)C

DOS

IR

Vibrations