Geometry & MOs

Info

ID:	320617
PubChem CID:	126662083
Reduced:	O3C25H38 (1)
Stoich.:	A3B25C38 (1)
Weight, g/mol:	355.3239
ΔH_f, kcal/mol:	-178.82
Dipole, Da:	3.32
IP(EA), eV:	-9.47(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-tert-butyl-4-[(Z,3Z)-6-(4-ethenylcyclohexen-1-yl)-3-ethylidenehex-4-enyl]piperidine

Drug info:

PubChemData

Smile

C[C@H](CCC(=O)OC)C1CCC2C1(C(=O)C=C3C2CCC4C3(CCCC4)C)C

DOS

IR

Vibrations