Geometry & MOs

Info

ID:	361572
PubChem CID:	127303836
Reduced:	O2N4C19H22 (1)
Stoich.:	A2B4C19D22 (1)
Weight, g/mol:	385.172559
ΔH_f, kcal/mol:	3.13
Dipole, Da:	4.22
IP(EA), eV:	-9.64(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)C2=CC3=C(COC3)C=C2)C4=NN=CN4C5CC5

DOS

IR

Vibrations