Geometry & MOs

Info

ID:	437893
PubChem CID:	135227232
Reduced:	O2N3C13H23 (1)
Stoich.:	A2B3C13D23 (1)
Weight, g/mol:	337.225308
ΔH_f, kcal/mol:	-79.79
Dipole, Da:	1.2
IP(EA), eV:	-9.06(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,5S,6E)-12,12-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azaspiro[4.7]dodec-6-ene-3-carboxylic acid

Drug info:

PubChemData

Smile

C/C=C(\CC1CN=C(NC1=O)C)/CNCCOC

DOS

IR

Vibrations