Geometry & MOs

Info

ID:	380431
PubChem CID:	134970877
Reduced:	NO4C19H21 (1)
Stoich.:	AB4C19D21 (1)
Weight, g/mol:	302.115424
ΔH_f, kcal/mol:	-123.8
Dipole, Da:	2.64
IP(EA), eV:	-9.01(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(10aR)-5-hydroxy-8-(hydroxymethyl)-3-methoxy-10a-methyl-6,10-dihydro-5H-anthracene-1,4-dione

Drug info:

PubChemData

Smile

CC1([C@H]([C@@H](C2=C(O1)C(=O)C3=CC=CC=C3C2=O)N4CCCC4)O)C

DOS

IR

Vibrations