Geometry & MOs

Info

ID:	326495
PubChem CID:	126687664
Reduced:	NO4C6H15 (1)
Stoich.:	AB4C6D15 (1)
Weight, g/mol:	313.108086
ΔH_f, kcal/mol:	-184.36
Dipole, Da:	2.38
IP(EA), eV:	-9.43(1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5S)-4-(2-chloroethyl)-1-[cyclohex-2-en-1-yl(hydroxy)methyl]-5-methyl-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione

Drug info:

PubChemData

Smile

COC(CN)C(C(O)OC)O

DOS

IR

Vibrations