Geometry & MOs

Info

ID:	185430
PubChem CID:	77300040
Reduced:	NCl2O4C23H25 (1)
Stoich.:	AB2C4D23E25 (1)
Weight, g/mol:	385.150093
ΔH_f, kcal/mol:	-146.87
Dipole, Da:	4.4
IP(EA), eV:	-9.26(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-acetyloxy-1-ethyl-3,4,4a,5,10,10a-hexahydro-2H-benzo[g]quinolin-7-yl) 2,2,2-trifluoroacetate

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)Cl)OCCOC2=CC=C(C=C2)C3CC4CCC(C3C(=O)O)N4)Cl

DOS

IR

Vibrations