Geometry & MOs

Info

ID:	179037
PubChem CID:	76424538
Reduced:	ON6C15H22 (1)
Stoich.:	AB6C15D22 (1)
Weight, g/mol:	347.232125
ΔH_f, kcal/mol:	15.95
Dipole, Da:	4.8
IP(EA), eV:	-8.85(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methylpropyl)-6-[4-(1,2,4-triazol-1-yl)butanoyl]-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one

Drug info:

PubChemData

Smile

CCCC1=NC(=C2C=NN(C2=N1)C)NC3CCCCNC3=O

DOS

IR

Vibrations