Geometry & MOs

Info

ID:	162309
PubChem CID:	57394255
Reduced:	NO3C21H21 (1)
Stoich.:	AB3C21D21 (1)
Weight, g/mol:	441.139922
ΔH_f, kcal/mol:	-98.12
Dipole, Da:	4.18
IP(EA), eV:	-9.05(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxy-6,6-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-6-ium-1,9,10-triol;2,2,2-trifluoroacetate

Drug info:

PubChemData

Smile

CC1=CC2=C(C3=CC=CC=C13)OC(=O)C(=C2)C(=O)NC4CCCCC4

DOS

IR

Vibrations