Geometry & MOs

Info

ID:	200533
PubChem CID:	79405481
Reduced:	NO2C12H15 (1)
Stoich.:	AB2C12D15 (1)
Weight, g/mol:	235.114319
ΔH_f, kcal/mol:	-40.4
Dipole, Da:	3.73
IP(EA), eV:	-9.77(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-5-(5-methylthiophen-2-yl)-4-propylpyrazol-3-amine

Drug info:

PubChemData

Smile

CCCC(C#N)C(=O)C1=CC=C(O1)CC

DOS

IR

Vibrations