Geometry & MOs

Info

ID:	216410
PubChem CID:	85086194
Reduced:	N3O3C13H19 (1)
Stoich.:	A3B3C13D19 (1)
Weight, g/mol:	265.147807
ΔH_f, kcal/mol:	-123.44
Dipole, Da:	1.82
IP(EA), eV:	-10.11(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-benzyl-7-fluoro-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridine

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)N)NC(=O)OCC1=CC=CC=N1

DOS

IR

Vibrations