Geometry & MOs

Info

ID:	190702
PubChem CID:	78044602
Reduced:	ON2C18H20 (1)
Stoich.:	AB2C18D20 (1)
Weight, g/mol:	366.169191
ΔH_f, kcal/mol:	-7.29
Dipole, Da:	2.9
IP(EA), eV:	-8.99(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-[7-[1-(2-hydroxyethyl)pyrazol-4-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

C1CC2C(CC(CC2=O)C3=NC4=CC=CC=C4C=C3)NC1

DOS

IR

Vibrations