Geometry & MOs

Info

ID:	439137
PubChem CID:	135228902
Reduced:	N4O6C25H26 (1)
Stoich.:	A4B6C25D26 (1)
Weight, g/mol:	290.178299
ΔH_f, kcal/mol:	-186.87
Dipole, Da:	9.65
IP(EA), eV:	-9.23(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[2-(3-propan-2-ylphenyl)ethyl]-1,7-dihydrodiazeto[4,1-a]isoindole

Drug info:

PubChemData

Smile

CC(C)(C)C1CC2=CC(=C(C=C2C3=CC(=O)C(=CN13)C(=O)O)OC)C4=CN=C(N=C4)NCC(=O)O

DOS

IR

Vibrations