Geometry & MOs

Info

ID:	383245
PubChem CID:	134974867
Reduced:	NC9H13 (2)
Stoich.:	AB9C13 (2)
Weight, g/mol:	268.167459
ΔH_f, kcal/mol:	70.6
Dipole, Da:	0.84
IP(EA), eV:	-8.4(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3aS,5R,6aS)-5-butoxy-2-oxo-3,3a,4,5,6,6a-hexahydro-1H-pentalene-1-carboxylate

Drug info:

PubChemData

Smile

C1CCN2CC3C[C@H]([C@@H]2C1)CN(C3)CC4=CC=CC=C4

DOS

IR

Vibrations