Geometry & MOs

Info

ID:	399923
PubChem CID:	135043842
Reduced:	OC6H6 (2)
Stoich.:	AB6C6 (2)
Weight, g/mol:	163.099714
ΔH_f, kcal/mol:	-58.04
Dipole, Da:	1.55
IP(EA), eV:	-9.85(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,4R,12R)-3-oxa-10-azatetracyclo[5.4.1.01,10.04,12]dodec-7-ene

Drug info:

PubChemData

Smile

CC(=C1[C@H](C2=CC=CC=C2C1=O)O)C

DOS

IR

Vibrations