Geometry & MOs

Info

ID:	361589
PubChem CID:	127303855
Reduced:	ON3C10H12 (2)
Stoich.:	AB3C10D12 (2)
Weight, g/mol:	359.268511
ΔH_f, kcal/mol:	53.5
Dipole, Da:	5.07
IP(EA), eV:	-9.84(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-methyl-2-piperidin-1-ylbutan-1-one

Drug info:

PubChemData

Smile

CC(C)C1=NOC2=C1C=C(C=N2)C(=O)N3CCCC(C3)C4=NN=CN4C5CC5

DOS

IR

Vibrations