Geometry & MOs

Info

ID:	243226
PubChem CID:	99217248
Reduced:	ClO2N4H19C21 (1)
Stoich.:	AB2C4D19E21 (1)
Weight, g/mol:	420.179755
ΔH_f, kcal/mol:	-5.09
Dipole, Da:	2.41
IP(EA), eV:	-8.87(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2,4-dioxo-3-propan-2-yl-1H-quinazoline-7-carboxamide

Drug info:

PubChemData

Smile

C1CC2=CC=CC=C2N(C1)C(=O)CNC(=O)C3=CC(=NN3)C4=CC=CC=C4Cl

DOS

IR

Vibrations