Geometry & MOs

Info

ID:	296655
PubChem CID:	117587518
Reduced:	N2O5C22H24 (1)
Stoich.:	A2B5C22D24 (1)
Weight, g/mol:	356.27153
ΔH_f, kcal/mol:	-133.95
Dipole, Da:	4.81
IP(EA), eV:	-8.37(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

octyl (1R,5S,6R)-5-ethyl-6-methyl-4-phenylcyclohex-3-ene-1-carboxylate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)/C=C/C(=O)N2CC(C2)N3C(=O)C4CC=CCC4C3=O)OC

DOS

IR

Vibrations