Geometry & MOs

Info

ID:	310289
PubChem CID:	126578044
Reduced:	N2H16C27 (2)
Stoich.:	A2B16C27 (2)
Weight, g/mol:	217.088498
ΔH_f, kcal/mol:	294.37
Dipole, Da:	1.73
IP(EA), eV:	-8.21(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-ethylsulfonylethyl)-N-methylpyrazol-4-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC4=C(C=C3)N=C5C6=CC7=CC=CC=C7C8=C6N(C5=N4)C9=C8C=C(C=C9)C1=CC2=C(C=C1)N(C1=CC=CC=C12)C1=CC=CC=C1

DOS

IR

Vibrations