Geometry & MOs

Info

ID:	370585
PubChem CID:	127339723
Reduced:	ON5C17H21 (1)
Stoich.:	AB5C17D21 (1)
Weight, g/mol:	315.20591
ΔH_f, kcal/mol:	51.5
Dipole, Da:	4.65
IP(EA), eV:	-9.35(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-ethyl-3,5-dimethylpyrazol-4-yl)-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2CCN(CC2)C(=O)C3=NC(=NC=C3)C4CC4

DOS

IR

Vibrations