Geometry & MOs

Info

ID:	361666
PubChem CID:	127303998
Reduced:	OSN5C16H21 (1)
Stoich.:	ABC5D16E21 (1)
Weight, g/mol:	377.185175
ΔH_f, kcal/mol:	45.38
Dipole, Da:	5.29
IP(EA), eV:	-9.33(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]quinolin-4-one

Drug info:

PubChemData

Smile

C1CC1N2C=NN=C2C3CCN(CC3)C(=O)CCC4=CSC=N4

DOS

IR

Vibrations