Geometry & MOs

Info

ID:	335586
PubChem CID:	127254448
Reduced:	OSN3C14H19 (1)
Stoich.:	ABC3D14E19 (1)
Weight, g/mol:	400.153541
ΔH_f, kcal/mol:	-11.15
Dipole, Da:	2.82
IP(EA), eV:	-8.86(-0.31)
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-(2-pyrrol-1-ylethyl)acetamide

Drug info:

PubChemData

Smile

CC1=CN=C(S1)NC(=O)CCCCCN2C=CC=C2

DOS

IR

Vibrations