Geometry & MOs

Info

ID:	78928
PubChem CID:	49742723
Reduced:	ClN2O3H21C22 (1)
Stoich.:	AB2C3D21E22 (1)
Weight, g/mol:	368.148455
ΔH_f, kcal/mol:	-100.61
Dipole, Da:	4.51
IP(EA), eV:	-8.91(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,4-dioxopyrimidin-1-yl)-N-(2-oxo-4-propan-2-yl-1H-quinolin-7-yl)propanamide

Drug info:

PubChemData

Smile

CC(C)C1=CC(=O)NC2=C1C=CC(=C2)NC(=O)CCC(=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations