Geometry & MOs

Info

ID:	127621
PubChem CID:	51008970
Reduced:	O3N4C24H30 (1)
Stoich.:	A3B4C24D30 (1)
Weight, g/mol:	234.125594
ΔH_f, kcal/mol:	-63.89
Dipole, Da:	3.85
IP(EA), eV:	-8.91(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,8S,10R,12R)-12-acetyl-10-methyl-9-oxatricyclo[6.2.2.02,7]dodec-2(7)-en-3-one

Drug info:

PubChemData

Smile

CCCNC(=O)NC1=C(N=C(N1CC2=CC=CC=C2)C3C[C@H]4C[C@@H]3C=C4)C(=O)OCC

DOS

IR

Vibrations