Geometry & MOs

Info

ID:	330107
PubChem CID:	127247094
Reduced:	SO2N3C14H17 (1)
Stoich.:	AB2C3D14E17 (1)
Weight, g/mol:	292.132411
ΔH_f, kcal/mol:	-26.07
Dipole, Da:	3.6
IP(EA), eV:	-9.74(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]-quinolin-5-ylmethanone

Drug info:

PubChemData

Smile

CC1=CC=CC=C1S(=O)(=O)N2CCC(C2)C3=CC=NN3

DOS

IR

Vibrations