Geometry & MOs

Info

ID:	429454
PubChem CID:	135169503
Reduced:	OH14C18 (1)
Stoich.:	AB14C18 (1)
Weight, g/mol:	435.09577
ΔH_f, kcal/mol:	36.53
Dipole, Da:	1.12
IP(EA), eV:	-8.32(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[[1-(6-bromo-8-fluoroquinolin-4-yl)piperidin-3-yl]methylidene]carbamate

Drug info:

PubChemData

Smile

C1C=COC1C2=CC=CC3=CC4=CC=CC=C4C=C32

DOS

IR

Vibrations