Geometry & MOs

Info

ID:	312246
PubChem CID:	126603862
Reduced:	N3C16H31 (1)
Stoich.:	A3B16C31 (1)
Weight, g/mol:	480.266445
ΔH_f, kcal/mol:	-5.89
Dipole, Da:	4.44
IP(EA), eV:	-9.09(0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3aR,4R,5R,6aS)-2-ethyl-4-[(E)-5-phenylpent-1-enyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-5-yl] 4-phenylbenzoate

Drug info:

PubChemData

Smile

CCN1C2CC(CCCCCCC2N=N1)(C)C(C)C

DOS

IR

Vibrations