Geometry & MOs

Info

ID:	356460
PubChem CID:	127291533
Reduced:	SO2N5C14H21 (1)
Stoich.:	AB2C5D14E21 (1)
Weight, g/mol:	305.185175
ΔH_f, kcal/mol:	-22.13
Dipole, Da:	10.51
IP(EA), eV:	-8.65(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]amino]-3-pyrazol-1-ylpropan-2-ol

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)C2CCCN2S(=O)(=O)C3=CN(C=N3)C

DOS

IR

Vibrations