Geometry & MOs

Info

ID:	333839
PubChem CID:	127252391
Reduced:	ON4C17H22 (1)
Stoich.:	AB4C17D22 (1)
Weight, g/mol:	273.15896
ΔH_f, kcal/mol:	6.2
Dipole, Da:	4.51
IP(EA), eV:	-8.91(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CN=C(C=C1)CC2CN(CCOC2)C3=NC=NC(=C3)C

DOS

IR

Vibrations