Geometry & MOs

Info

ID:	361646
PubChem CID:	127303978
Reduced:	ON5C13H21 (1)
Stoich.:	AB5C13D21 (1)
Weight, g/mol:	394.222957
ΔH_f, kcal/mol:	14.96
Dipole, Da:	3.46
IP(EA), eV:	-9.2(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]methanone

Drug info:

PubChemData

Smile

CN(C)C(=O)N1CCC(CC1)C2=NN=CN2C3CC3

DOS

IR

Vibrations