Geometry & MOs

Info

ID:	422157
PubChem CID:	135117308
Reduced:	OSN5C15H17 (1)
Stoich.:	ABC5D15E17 (1)
Weight, g/mol:	298.179361
ΔH_f, kcal/mol:	45.11
Dipole, Da:	4.84
IP(EA), eV:	-8.57(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-dimethyl-N-[3-[(5-methylpyridin-2-yl)amino]propyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NN1)C[C@@H]2CN(C[C@@H]2O)C3=C4C=CSC4=NC=N3

DOS

IR

Vibrations