Geometry & MOs

Info

ID:	78931
PubChem CID:	49742732
Reduced:	O3N4H20C22 (1)
Stoich.:	A3B4C20D22 (1)
Weight, g/mol:	355.189592
ΔH_f, kcal/mol:	-70.18
Dipole, Da:	5.07
IP(EA), eV:	-8.87(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-acetyl-N-(2-oxo-4-propan-2-yl-1H-quinolin-7-yl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)C1=CC(=O)NC2=C1C=CC(=C2)NC(=O)CN3C=NC4=CC=CC=C4C3=O

DOS

IR

Vibrations