Geometry & MOs

Info

ID:	161870
PubChem CID:	57392896
Reduced:	FN4O4H27C29 (1)
Stoich.:	AB4C4D27E29 (1)
Weight, g/mol:	188.094963
ΔH_f, kcal/mol:	-142.33
Dipole, Da:	8.66
IP(EA), eV:	-9.31(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(6-methylpyridin-2-yl)-2-oxa-3-azabicyclo[2.2.1]hept-5-ene

Drug info:

PubChemData

Smile

C1CC(=O)N(C1)CCN2C3=C(C(=C(C2=O)C(=O)NCC4=CC=C(C=C4)F)O)N=CC(=C3)CC5=CC=CC=C5

DOS

IR

Vibrations