Geometry & MOs

Info

ID:	65361
PubChem CID:	29214791
Reduced:	O2N5C21H33 (1)
Stoich.:	A2B5C21D33 (1)
Weight, g/mol:	390.169877
ΔH_f, kcal/mol:	-15.93
Dipole, Da:	5.51
IP(EA), eV:	-8.74(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

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CCN1CCN(CC1)C[C@@H](COC2=CC=CC(=C2)CNCCN3C=CC=N3)O

DOS

IR

Vibrations