Geometry & MOs

Info

ID:	330287
PubChem CID:	127247274
Reduced:	ON5C17H25 (1)
Stoich.:	AB5C17D25 (1)
Weight, g/mol:	315.20591
ΔH_f, kcal/mol:	-1.3
Dipole, Da:	4.11
IP(EA), eV:	-9.49(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-methyl-5-(2-methylpropyl)pyrazol-3-yl]-[2-(1H-pyrazol-5-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CCCN1C(=C(C(=N1)C)C(=O)N2CCCCC2C3=CC=NN3)C

DOS

IR

Vibrations