Geometry & MOs

Info

ID:	370644
PubChem CID:	127339803
Reduced:	ON5C18H23 (1)
Stoich.:	AB5C18D23 (1)
Weight, g/mol:	343.237211
ΔH_f, kcal/mol:	44.43
Dipole, Da:	5.43
IP(EA), eV:	-9.28(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)C2CCN(CC2)C(=O)C3=NC(=NC=C3)C4CC4

DOS

IR

Vibrations