Geometry & MOs

Info

ID:	209504
PubChem CID:	80681001
Reduced:	SO2N4C13H18 (1)
Stoich.:	AB2C4D13E18 (1)
Weight, g/mol:	180.137497
ΔH_f, kcal/mol:	-24.97
Dipole, Da:	6.72
IP(EA), eV:	-8.58(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(1-methylpyrazol-4-yl)ethyl]azetidin-3-amine

Drug info:

PubChemData

Smile

CN1C=C(C=N1)CCNC2=C(C=C(C=C2)S(=O)(=O)C)N

DOS

IR

Vibrations