Geometry & MOs

Info

ID:	65333
PubChem CID:	29214694
Reduced:	ON3C8H12 (2)
Stoich.:	AB3C8D12 (2)
Weight, g/mol:	362.200114
ΔH_f, kcal/mol:	-14.0
Dipole, Da:	5.58
IP(EA), eV:	-8.96(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-cyclopentylsulfanyl-3-N-[(Z)-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methylideneamino]-1,2,4-triazole-3,4-diamine

Drug info:

PubChemData

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C[C@H](CC1=CN(N=N1)CC2CCN(CC2)C3=NC=CC(=N3)OC)O

DOS

IR

Vibrations