Geometry & MOs

Info

ID:	153945
PubChem CID:	56313298
Reduced:	NO3C10H12 (2)
Stoich.:	AB3C10D12 (2)
Weight, g/mol:	412.178693
ΔH_f, kcal/mol:	-120.14
Dipole, Da:	7.34
IP(EA), eV:	-9.41(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1,3-dioxoisoindol-2-yl)methyl]-N-(3-phenylbutyl)benzamide

Drug info:

PubChemData

Smile

CC(CCNC(=O)C1=CC(=C(C(=C1[N+](=O)[O-])OC)OC)OC)C2=CC=CC=C2

DOS

IR

Vibrations