Geometry & MOs

Info

ID:	48084
PubChem CID:	10537055
Reduced:	NO3C12H17 (1)
Stoich.:	AB3C12D17 (1)
Weight, g/mol:	223.120843
ΔH_f, kcal/mol:	-120.73
Dipole, Da:	5.06
IP(EA), eV:	-8.17(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1R,4R,5S)-2,2,4-trimethyl-3-oxo-8-azabicyclo[3.2.1]oct-6-ene-8-carboxylate

Drug info:

PubChemData

Smile

CCC(CO)C(=O)NC1=CC=C(C=C1)OC

DOS

IR

Vibrations