Geometry & MOs

Info

ID:	441753
PubChem CID:	135243361
Reduced:	N3C14H23 (2)
Stoich.:	A3B14C23 (2)
Weight, g/mol:	404.125988
ΔH_f, kcal/mol:	26.12
Dipole, Da:	4.86
IP(EA), eV:	-8.56(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methylpropyl 2-(3-hydroperoxy-6-oxoxanthen-9-yl)benzoate

Drug info:

PubChemData

Smile

C/C=C\C(=C/C=NC)\NC1=NC(=NC(=N1)NC2CCCCCCC2)C3CCCCCCCCC3

DOS

IR

Vibrations