Geometry & MOs

Info

ID:	172505
PubChem CID:	75517590
Reduced:	OF2N4C15H18 (1)
Stoich.:	AB2C4D15E18 (1)
Weight, g/mol:	328.178693
ΔH_f, kcal/mol:	-58.98
Dipole, Da:	4.74
IP(EA), eV:	-9.17(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3,5-dimethylphenoxy)ethyl]-2-ethyl-N-methyl-6-oxo-1H-pyridine-4-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1N2C=CN=N2)CC(C3=C(C=CC=C3F)F)O

DOS

IR

Vibrations