Geometry & MOs

Info

ID:	364885
PubChem CID:	127316393
Reduced:	ON3C16H25 (1)
Stoich.:	AB3C16D25 (1)
Weight, g/mol:	391.237211
ΔH_f, kcal/mol:	-25.21
Dipole, Da:	2.43
IP(EA), eV:	-8.85(0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(4-cyclobutylpiperazine-1-carbonyl)-3-(3,4-dimethylphenyl)pyrazol-1-yl]propanenitrile

Drug info:

PubChemData

Smile

C1CCC(CC1)(C#N)C(=O)N2CCN(CC2)C3CCC3

DOS

IR

Vibrations