Geometry & MOs

Info

ID:	444342
PubChem CID:	135262112
Reduced:	FO3C6H11 (1)
Stoich.:	AB3C6D11 (1)
Weight, g/mol:	219.162314
ΔH_f, kcal/mol:	-196.14
Dipole, Da:	2.73
IP(EA), eV:	-9.93(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,6-dimethyl-3-oxa-11-azatricyclo[7.4.1.05,14]tetradeca-1(14),4-diene

Drug info:

PubChemData

Smile

CC(=CCF)C.C(=O)(O)O

DOS

IR

Vibrations