Geometry & MOs

Info

ID:	439194
PubChem CID:	135228959
Reduced:	N2O2C25H34 (1)
Stoich.:	A2B2C25D34 (1)
Weight, g/mol:	228.162649
ΔH_f, kcal/mol:	-77.29
Dipole, Da:	4.66
IP(EA), eV:	-8.7(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(2,3-dimethylbutyl)-1,7-dihydrodiazeto[4,1-a]isoindole

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)N1CCC(CC1)C(CC2[C@H]3CCC=NC=C3C4=CC=CC=C24)O

DOS

IR

Vibrations