Geometry & MOs

Info

ID:	330286
PubChem CID:	127247273
Reduced:	ON5C17H25 (1)
Stoich.:	AB5C17D25 (1)
Weight, g/mol:	315.20591
ΔH_f, kcal/mol:	-1.59
Dipole, Da:	4.4
IP(EA), eV:	-9.22(0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,5-dimethyl-1-propylpyrazol-4-yl)-[2-(1H-pyrazol-5-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC(=NN1CCCC(=O)N2CCCCC2C3=CC=NN3)C

DOS

IR

Vibrations