Geometry & MOs

Info

ID:	216420
PubChem CID:	85086210
Reduced:	NC9H11 (2)
Stoich.:	AB9C11 (2)
Weight, g/mol:	266.22458
ΔH_f, kcal/mol:	61.41
Dipole, Da:	2.65
IP(EA), eV:	-8.22(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[2-(2,3-dimethylcyclohexen-1-yl)ethyl]-3-methylbutyl] acetate

Drug info:

PubChemData

Smile

CCCCCC=NN(C1=CC=CC=C1)C2=CC=CC=C2

DOS

IR

Vibrations