Geometry & MOs

Info

ID:	46803
PubChem CID:	10527459
Reduced:	OC3H4 (8)
Stoich.:	AB3C4 (8)
Weight, g/mol:	448.199822
ΔH_f, kcal/mol:	-334.79
Dipole, Da:	7.81
IP(EA), eV:	-10.61(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[9-(diethylamino)-5-oxobenzo[a]phenoxazin-2-yl]oxyhexanoic acid

Drug info:

PubChemData

Smile

C[C@H]1CC[C@]23[C@H]([C@]1(C)CCC4=CC(=O)OC4)C[C@@H]([C@H]5[C@@]2(O5)CO[C@@H]3OC(=O)C)OC(=O)C

DOS

IR

Vibrations