Geometry & MOs

Info

ID:	330357
PubChem CID:	127247344
Reduced:	ON5C18H27 (1)
Stoich.:	AB5C18D27 (1)
Weight, g/mol:	329.221561
ΔH_f, kcal/mol:	-7.68
Dipole, Da:	4.53
IP(EA), eV:	-8.92(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(NN=C1)C2CCCCN2C(=O)CCN3C=CN=C3C(C)C

DOS

IR

Vibrations