Geometry & MOs

Info

ID:	370627
PubChem CID:	127339780
Reduced:	ON4C23H28 (1)
Stoich.:	AB4C23D28 (1)
Weight, g/mol:	329.221561
ΔH_f, kcal/mol:	17.21
Dipole, Da:	3.56
IP(EA), eV:	-9.3(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,5-dimethylpyrazol-1-yl)-1-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)C2CCN(CC2)C(=O)C3=CC(=NC4=CC=CC=C43)C(C)C

DOS

IR

Vibrations