Geometry & MOs

Info

ID:	404696
PubChem CID:	135069674
Reduced:	O3C16H22 (1)
Stoich.:	A3B16C22 (1)
Weight, g/mol:	262.156895
ΔH_f, kcal/mol:	-134.81
Dipole, Da:	4.6
IP(EA), eV:	-9.99(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butyl (1R,2S,6R,7S)-4-methyl-5-oxotricyclo[5.2.1.02,6]dec-3-ene-3-carboxylate

Drug info:

PubChemData

Smile

CCCCOC(=O)C1=C([C@H]2[C@@H]3CC[C@@H](C3)[C@H]2C1=O)C

DOS

IR

Vibrations