Geometry & MOs

Info

ID:	407889
PubChem CID:	135080644
Reduced:	OSN2C10H10 (1)
Stoich.:	ABC2D10E10 (1)
Weight, g/mol:	220.109944
ΔH_f, kcal/mol:	26.67
Dipole, Da:	10.08
IP(EA), eV:	-9.71(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R,6S)-5-(furan-2-yl)-3-methoxy-6-methylcyclohept-2-en-1-one

Drug info:

PubChemData

Smile

C1CCC2C(C1)OC(=C(C#N)C#N)S2

DOS

IR

Vibrations