Geometry & MOs

Info

ID:	317280
PubChem CID:	126635361
Reduced:	ON2C17H26 (1)
Stoich.:	AB2C17D26 (1)
Weight, g/mol:	630.272987
ΔH_f, kcal/mol:	-10.7
Dipole, Da:	4.77
IP(EA), eV:	-8.26(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-5-[4-[2-[4-[2-(3-methylhexan-3-yl)-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)N(/C=C\C(C)(C)C(C)C)C=N

DOS

IR

Vibrations