Geometry & MOs

Info

ID:	330138
PubChem CID:	127247125
Reduced:	SO2N5C13H19 (1)
Stoich.:	AB2C5D13E19 (1)
Weight, g/mol:	310.179361
ΔH_f, kcal/mol:	-19.72
Dipole, Da:	5.73
IP(EA), eV:	-9.51(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations