Geometry & MOs

Info

ID:	407693
PubChem CID:	135080445
Reduced:	OC4H6 (3)
Stoich.:	AB4C6 (3)
Weight, g/mol:	192.126263
ΔH_f, kcal/mol:	-59.26
Dipole, Da:	1.55
IP(EA), eV:	-9.27(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-propan-2-ylidene-4-aza-3-azoniatricyclo[5.2.1.02,6]dec-4-en-5-olate

Drug info:

PubChemData

Smile

COC/C=C(/C#CCOC)\C(=C)COC

DOS

IR

Vibrations