Geometry & MOs

Info

ID:	330156
PubChem CID:	127247143
Reduced:	OSN3C15H19 (1)
Stoich.:	ABC3D15E19 (1)
Weight, g/mol:	292.168797
ΔH_f, kcal/mol:	-1.33
Dipole, Da:	5.05
IP(EA), eV:	-9.33(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[[3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]quinoline

Drug info:

PubChemData

Smile

CC1=CC=C(S1)CC(=O)N2CCC(C2)C3=C(C=NN3)C

DOS

IR

Vibrations