Geometry & MOs

Info

ID:	330196
PubChem CID:	127247183
Reduced:	SO2N5C14H21 (1)
Stoich.:	AB2C5D14E21 (1)
Weight, g/mol:	323.199762
ΔH_f, kcal/mol:	-29.41
Dipole, Da:	3.78
IP(EA), eV:	-9.19(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone

Drug info:

PubChemData

Smile

CCN1C(=C(C=N1)S(=O)(=O)N2CCC(C2)C3=C(C=NN3)C)C

DOS

IR

Vibrations