Geometry & MOs

Info

ID:	361656
PubChem CID:	127303988
Reduced:	O2N4C19H22 (1)
Stoich.:	A2B4C19D22 (1)
Weight, g/mol:	385.172559
ΔH_f, kcal/mol:	5.13
Dipole, Da:	6.08
IP(EA), eV:	-9.4(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-6-(trifluoromethyl)piperidin-2-one

Drug info:

PubChemData

Smile

C1CC1N2C=NN=C2C3CCN(CC3)C(=O)C4=CC5=C(COC5)C=C4

DOS

IR

Vibrations