Geometry & MOs

Info

ID:	419254
PubChem CID:	135107829
Reduced:	ON2C11H12 (2)
Stoich.:	AB2C11D12 (2)
Weight, g/mol:	286.142976
ΔH_f, kcal/mol:	-30.17
Dipole, Da:	4.15
IP(EA), eV:	-8.48(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methoxy-N-[2-[(3-methylpyridin-4-yl)amino]ethyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=NC(=C(C=C1)C(=O)N)N2CCC3(CC2)C4=C(CCO3)C5=CC=CC=C5N4

DOS

IR

Vibrations