Geometry & MOs

Info

ID:	209503
PubChem CID:	80681000
Reduced:	ON5C14H21 (1)
Stoich.:	AB5C14D21 (1)
Weight, g/mol:	294.115047
ΔH_f, kcal/mol:	15.37
Dipole, Da:	3.88
IP(EA), eV:	-8.01(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N-[2-(1-methylpyrazol-4-yl)ethyl]-4-methylsulfonylbenzene-1,2-diamine

Drug info:

PubChemData

Smile

CCCOC1=C(C=CC(=N1)NCCC2=CN(N=C2)C)N

DOS

IR

Vibrations