Geometry & MOs

Info

ID:	306209
PubChem CID:	125002702
Reduced:	O2N3C18H21 (1)
Stoich.:	A2B3C18D21 (1)
Weight, g/mol:	292.168797
ΔH_f, kcal/mol:	-30.98
Dipole, Da:	4.68
IP(EA), eV:	-8.76(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1CCC[C@@H](C1)CC2=CN=C(C=N2)C3=CC=C(C=C3)C(=O)O

DOS

IR

Vibrations