Geometry & MOs

Info

ID:	168780
PubChem CID:	75018299
Reduced:	FNO5C26H28 (1)
Stoich.:	ABC5D26E28 (1)
Weight, g/mol:	452.155906
ΔH_f, kcal/mol:	-139.04
Dipole, Da:	2.32
IP(EA), eV:	-8.4(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(naphthalen-1-ylmethyl)-2,4-dioxo-4a,5,6,7,8,8a-hexahydrobenzo[d][1,3]oxazin-7-yl]methylazanium;2,2,2-trifluoroacetate

Drug info:

PubChemData

Smile

CN1CCC23C=CC(CC2OC4=C(C=CC(=C34)C1)OC)OC(=O)CCOC5=CC=C(C=C5)F

DOS

IR

Vibrations