Geometry & MOs

Info

ID:	298653
PubChem CID:	117653547
Reduced:	O4C25H36 (1)
Stoich.:	A4B25C36 (1)
Weight, g/mol:	620.245727
ΔH_f, kcal/mol:	-190.64
Dipole, Da:	3.83
IP(EA), eV:	-8.59(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-5-oxo-7-propan-2-ylchromeno[2,3-b]pyridine-3-carboxylic acid;10-(1-azabicyclo[2.2.2]octan-3-ylmethyl)phenothiazine

Drug info:

PubChemData

Smile

CCC(C(C)(C)OC1=C(C=C(C=C1)C(CC)(CC)C2=CC(=C(C=C2)O)CO)C)O

DOS

IR

Vibrations