Geometry & MOs

Info

ID:	370649
PubChem CID:	127339808
Reduced:	O2N4C19H30 (1)
Stoich.:	A2B4C19D30 (1)
Weight, g/mol:	301.19026
ΔH_f, kcal/mol:	-80.14
Dipole, Da:	5.67
IP(EA), eV:	-9.28(0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)C2CCN(CC2)C(=O)C3CCCN3C(=O)C(C)C

DOS

IR

Vibrations