Geometry & MOs

Info

ID:	71158
PubChem CID:	48414372
Reduced:	BrO2N4C19H21 (1)
Stoich.:	AB2C4D19E21 (1)
Weight, g/mol:	419.19574
ΔH_f, kcal/mol:	7.25
Dipole, Da:	1.81
IP(EA), eV:	-8.88(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]propanamide

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)CCN2C=NC3=C(C2=O)C=C(C=C3)Br

DOS

IR

Vibrations