Geometry & MOs

Info

ID:	46334
PubChem CID:	10523922
Reduced:	NOC26H39 (1)
Stoich.:	ABC26D39 (1)
Weight, g/mol:	381.125547
ΔH_f, kcal/mol:	-43.05
Dipole, Da:	3.2
IP(EA), eV:	-8.47(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(7-carboxy-9-cyclopropyl-3-fluoro-1-methyl-6-oxoquinolizin-2-yl)azetidin-2-yl]methylazanium;chloride

Drug info:

PubChemData

Smile

CC(=O)C1=CC[C@@]2([C@@]1(CC=C3[C@H]2CC[C@@H]4C(=CC[C@@H](C4(C)C)N(C)C)C3)C)C

DOS

IR

Vibrations