Geometry & MOs

Info

ID:	288553
PubChem CID:	104319519
Reduced:	ON3C14H17 (1)
Stoich.:	AB3C14D17 (1)
Weight, g/mol:	264.195011
ΔH_f, kcal/mol:	-9.68
Dipole, Da:	7.26
IP(EA), eV:	-8.47(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-amino-5-methyl-2-propylpyrazol-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol

Drug info:

PubChemData

Smile

C1CC(C2C1CN(C2)C3=CC(=C(C=C3)C#N)N)O

DOS

IR

Vibrations