Geometry & MOs

Info

ID:	10776
PubChem CID:	107860
Reduced:	OH4C5 (4)
Stoich.:	AB4C5 (4)
Weight, g/mol:	320.104859
ΔH_f, kcal/mol:	-123.4
Dipole, Da:	4.18
IP(EA), eV:	-8.63(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7R,8S,9R,10S)-7,8,9,10-tetrahydrobenzo[a]pyrene-7,8,9,10-tetrol

Drug info:

PubChemData

Smile

C1=CC2=C3C(=C1)C=CC4=C3C(=CC5=C4[C@@H]([C@H]([C@H]([C@@H]5O)O)O)O)C=C2

DOS

IR

Vibrations