Geometry & MOs

Info

ID:	45546
PubChem CID:	10514774
Reduced:	OSN3C12H15 (1)
Stoich.:	ABC3D12E15 (1)
Weight, g/mol:	249.172879
ΔH_f, kcal/mol:	-6.23
Dipole, Da:	3.66
IP(EA), eV:	-9.02(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,3Z,4S)-1,7,7-trimethyl-3-(morpholin-4-ylmethylidene)bicyclo[2.2.1]heptan-2-one

Drug info:

PubChemData

Smile

CCCCN1C(=O)C=CC2=CN=C(N=C21)SC

DOS

IR

Vibrations