Geometry & MOs

Info

ID:	395086
PubChem CID:	135024621
Reduced:	N2O4C25H40 (1)
Stoich.:	A2B4C25D40 (1)
Weight, g/mol:	303.219829
ΔH_f, kcal/mol:	-220.74
Dipole, Da:	6.05
IP(EA), eV:	-9.48(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2E,4S,6E)-4,6-dimethylocta-2,6-dienoyl]-1,7,7-trimethyl-2-azabicyclo[2.2.1]heptan-3-one

Drug info:

PubChemData

Smile

C[C@H]1CC[C@@H]([C@@H]([C@]12CCC(=C2)C)NC(=O)C(C)(C)N3[C@@H](CCC3=O)C(=O)OC)C(C)C

DOS

IR

Vibrations