Geometry & MOs

Info

ID:	178978
PubChem CID:	76412466
Reduced:	FN3H19C21 (1)
Stoich.:	AB3C19D21 (1)
Weight, g/mol:	232.121178
ΔH_f, kcal/mol:	57.48
Dipole, Da:	1.39
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.833163
Charge, e:	0

Chem-info

IUPAC name:

3-(1-methylpiperidin-4-yl)-3aH-1,2-benzoxazol-6-one

Drug info:

PubChemData

Smile

C1C(NCC2=CC=CC=C21)C=[N+](C3=CC=NC=C3)C4=CC(=CC=C4)F

DOS

IR

Vibrations