Geometry & MOs

Info

ID:	421212
PubChem CID:	135115565
Reduced:	FN2O6C17H19 (1)
Stoich.:	AB2C6D17E19 (1)
Weight, g/mol:	367.262363
ΔH_f, kcal/mol:	-218.18
Dipole, Da:	4.4
IP(EA), eV:	-9.37(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(piperidin-1-ylmethyl)-4-(4,7,8-trimethylquinolin-2-yl)-1,4-oxazepane

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C2=C(C(=NO2)N3C[C@H]([C@@H](C3)CO)CO)C(=O)O)F

DOS

IR

Vibrations