Geometry & MOs

Info

ID:	204653
PubChem CID:	79993780
Reduced:	SO2N4C11H20 (1)
Stoich.:	AB2C4D11E20 (1)
Weight, g/mol:	256.145474
ΔH_f, kcal/mol:	-67.26
Dipole, Da:	7.73
IP(EA), eV:	-9.02(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-chloro-2,5-dimethylpyrazol-3-yl)methyl]-5-methylpiperidin-3-amine

Drug info:

PubChemData

Smile

CC1CC(CN(C1)S(=O)(=O)C2=CN(C(=N2)C)C)N

DOS

IR

Vibrations