Geometry & MOs

Info

ID:	396341
PubChem CID:	135028104
Reduced:	NSC8H17 (1)
Stoich.:	ABC8D17 (1)
Weight, g/mol:	306.183109
ΔH_f, kcal/mol:	-11.94
Dipole, Da:	2.32
IP(EA), eV:	-8.82(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl (2S,4R)-2-cyclohexyl-4-ethenyl-3-methylidenecyclopentane-1,1-dicarboxylate

Drug info:

PubChemData

Smile

CC(C)(C)C1CC(N1C)S

DOS

IR

Vibrations