Geometry & MOs

Info

ID:	427103
PubChem CID:	135155529
Reduced:	BrFN2O2C16H18 (1)
Stoich.:	ABC2D2E16F18 (1)
Weight, g/mol:	442.246772
ΔH_f, kcal/mol:	-127.76
Dipole, Da:	2.69
IP(EA), eV:	-8.65(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

formic acid;8-methoxy-4-(oxolan-3-yl)-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[c]quinoline

Drug info:

PubChemData

Smile

CC(CC1CCC2=C(C1)NC3=C2C(=C(C=C3C(=O)N)F)Br)O

DOS

IR

Vibrations