Geometry & MOs

Info

ID:	126557
PubChem CID:	50968008
Reduced:	SO3N5C17H17 (1)
Stoich.:	AB3C5D17E17 (1)
Weight, g/mol:	349.19026
ΔH_f, kcal/mol:	-29.58
Dipole, Da:	3.85
IP(EA), eV:	-9.25(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(methylamino)pyridin-4-yl]-[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

COC(=O)C1=NN2CCCN(CC2=C1)C(=O)C3=CC4=C(C=C3)SC(=N4)N

DOS

IR

Vibrations