Geometry & MOs

Info

ID:	379864
PubChem CID:	134958989
Reduced:	OC6H9 (2)
Stoich.:	AB6C9 (2)
Weight, g/mol:	897.585557
ΔH_f, kcal/mol:	-90.98
Dipole, Da:	1.86
IP(EA), eV:	-9.25(0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC1=CC[C@H]([C@H]1COC(=O)C)C(=C)C

DOS

IR

Vibrations