Geometry & MOs

Info

ID:	361528
PubChem CID:	127303718
Reduced:	ON2C11H15 (2)
Stoich.:	AB2C11D15 (2)
Weight, g/mol:	366.205576
ΔH_f, kcal/mol:	-41.18
Dipole, Da:	0.93
IP(EA), eV:	-8.89(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-oxo-2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]ethyl]-3,4-dihydroquinolin-2-one

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)C2CCCN2C(=O)C3=CC=CC(=C3)CN4CCOCC4

DOS

IR

Vibrations