Geometry & MOs

Info

ID:	281949
PubChem CID:	103914590
Reduced:	SO2N3C10H17 (1)
Stoich.:	AB2C3D10E17 (1)
Weight, g/mol:	231.104148
ΔH_f, kcal/mol:	-61.14
Dipole, Da:	4.26
IP(EA), eV:	-9.32(0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methylsulfonyl-N-[1-(1H-pyrazol-4-yl)ethyl]propan-2-amine

Drug info:

PubChemData

Smile

CC(C1=CNN=C1)NC2CCCS(=O)(=O)C2

DOS

IR

Vibrations