Geometry & MOs

Info

ID:	215955
PubChem CID:	85085495
Reduced:	FNO3C9H14 (1)
Stoich.:	ABC3D9E14 (1)
Weight, g/mol:	203.115758
ΔH_f, kcal/mol:	-197.2
Dipole, Da:	5.14
IP(EA), eV:	-10.32(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dimethyl-4,5,6,7,8,8a-hexahydro-3aH-[1,3]dioxolo[4,5-d]azepine-4,8-diol

Drug info:

PubChemData

Smile

CC(=O)C1CC(C(C1CO)F)C(=O)N

DOS

IR

Vibrations