Geometry & MOs

Info

ID:	281810
PubChem CID:	103914400
Reduced:	SO2N3C11H19 (1)
Stoich.:	AB2C3D11E19 (1)
Weight, g/mol:	236.200097
ΔH_f, kcal/mol:	-58.44
Dipole, Da:	4.56
IP(EA), eV:	-9.19(0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-N-[2-(4-methylpyrazol-1-yl)ethyl]piperidin-4-amine

Drug info:

PubChemData

Smile

CC1=CN(N=C1)CCNC2CCCS(=O)(=O)C2

DOS

IR

Vibrations