Geometry & MOs

Info

ID:	44037
PubChem CID:	10500590
Reduced:	N2O6H14C21 (1)
Stoich.:	A2B6C14D21 (1)
Weight, g/mol:	390.110338
ΔH_f, kcal/mol:	11.58
Dipole, Da:	6.44
IP(EA), eV:	-9.95(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-(3,4-dimethoxybenzoyl)-1,8-dihydroxy-10H-anthracen-9-one

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)[N+](=O)[O-])/C=C/C(=O)C2=CC=C(C=C2)OC3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations