Geometry & MOs

Info

ID:	330417
PubChem CID:	127247404
Reduced:	ON6C14H18 (1)
Stoich.:	AB6C14D18 (1)
Weight, g/mol:	287.17461
ΔH_f, kcal/mol:	31.2
Dipole, Da:	7.03
IP(EA), eV:	-9.32(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-propylpyrazol-3-yl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CNC1=NC=C(C=N1)C(=O)N2CCCC(C2)C3=CC=NN3

DOS

IR

Vibrations