Geometry & MOs

Info

ID:	9940
PubChem CID:	95074
Reduced:	NO2C12H17 (1)
Stoich.:	AB2C12D17 (1)
Weight, g/mol:	207.125929
ΔH_f, kcal/mol:	-96.57
Dipole, Da:	2.37
IP(EA), eV:	-10.1(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-butyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione

Drug info:

PubChemData

Smile

CCCCN1C(=O)C2CC=CCC2C1=O

DOS

IR

Vibrations