Geometry & MOs

Info

ID:	435220
PubChem CID:	135184880
Reduced:	FOC13H17 (1)
Stoich.:	ABC13D17 (1)
Weight, g/mol:	535.265791
ΔH_f, kcal/mol:	-87.65
Dipole, Da:	3.19
IP(EA), eV:	-9.41(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(cyclohexylamino)-8-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[c]quinolin-1-yl] 2,2,2-trifluoroacetate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)C(C(C)O)C(=C)C

DOS

IR

Vibrations