Geometry & MOs

Info

ID:	369867
PubChem CID:	127336526
Reduced:	ClOSN4C15H19 (1)
Stoich.:	ABCD4E15F19 (1)
Weight, g/mol:	379.212058
ΔH_f, kcal/mol:	-5.09
Dipole, Da:	1.23
IP(EA), eV:	-9.29(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-pyrazol-1-ylpyridin-2-yl)-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CCC1=NN2CC(CCC2=N1)NC(=O)CCC3=CC(=CS3)Cl

DOS

IR

Vibrations