Geometry & MOs

Info

ID:	333882
PubChem CID:	127252434
Reduced:	ON3C7H9 (2)
Stoich.:	AB3C7D9 (2)
Weight, g/mol:	276.195011
ΔH_f, kcal/mol:	-15.87
Dipole, Da:	4.34
IP(EA), eV:	-9.8(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-methyl-4-(1H-pyrazol-5-yl)piperidin-1-yl]-piperidin-2-ylmethanone

Drug info:

PubChemData

Smile

CC1(CCN(CC1)C(=O)C2=CC=NN2)C3=C(C=NN3)C(=O)N

DOS

IR

Vibrations