Geometry & MOs

Info

ID:	326335
PubChem CID:	126687350
Reduced:	NO3C23H29 (1)
Stoich.:	AB3C23D29 (1)
Weight, g/mol:	388.14633
ΔH_f, kcal/mol:	-109.71
Dipole, Da:	2.7
IP(EA), eV:	-8.77(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-(10-oxo-9,9a-dihydro-4aH-anthracen-9-yl)-10H-anthracen-9-one

Drug info:

PubChemData

Smile

CC(C(CO)C1=CC=C(C=C1)O)N2C[C@H]3CC(C[C@H]3C2)(C4=CC=CC=C4)O

DOS

IR

Vibrations