Geometry & MOs

Info

ID:	336230
PubChem CID:	127255237
Reduced:	N4O5H12C15 (1)
Stoich.:	A4B5C12D15 (1)
Weight, g/mol:	437.098726
ΔH_f, kcal/mol:	-87.17
Dipole, Da:	4.37
IP(EA), eV:	-9.02(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)-N-(3,4,5-trifluorophenyl)acetamide

Drug info:

PubChemData

Smile

COC(=O)C1=CN(C=C2C1=NNC2=O)NC3=CC=C(C=C3)C(=O)O

DOS

IR

Vibrations