Geometry & MOs

Info

ID:	438787
PubChem CID:	135228544
Reduced:	F3N3O4C22H22 (1)
Stoich.:	A3B3C4D22E22 (1)
Weight, g/mol:	422.164185
ΔH_f, kcal/mol:	-268.58
Dipole, Da:	3.43
IP(EA), eV:	-9.02(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-tert-butyl-9-(6-fluoropyridin-3-yl)-10-methoxy-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid

Drug info:

PubChemData

Smile

C1[C@@H](C(CN1)C(=O)NCC2=CC(=CC=C2)C(F)(F)F)C(=O)NCC3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations