Geometry & MOs

Info

ID:	61477
PubChem CID:	26709835
Reduced:	FN2O3C17H17 (1)
Stoich.:	AB2C3D17E17 (1)
Weight, g/mol:	441.168856
ΔH_f, kcal/mol:	-130.48
Dipole, Da:	2.88
IP(EA), eV:	-8.31(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]butanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)NC(=O)CNC(=O)C2=CC(=CC=C2)F

DOS

IR

Vibrations