Geometry & MOs

Info

ID:	45339
PubChem CID:	10511578
Reduced:	SN4C7H8 (1)
Stoich.:	AB4C7D8 (1)
Weight, g/mol:	180.11503
ΔH_f, kcal/mol:	90.3
Dipole, Da:	3.82
IP(EA), eV:	-9.42(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S,5S)-2-methoxy-1,5-dimethyl-3-methylidene-8-oxabicyclo[3.2.1]oct-6-ene

Drug info:

PubChemData

Smile

CC(C)SC1=NC(=CN=N1)C#N

DOS

IR

Vibrations