Geometry & MOs

Info

ID:	377896
PubChem CID:	134223962
Reduced:	BrC37H37 (1)
Stoich.:	AB37C37 (1)
Weight, g/mol:	184.14633
ΔH_f, kcal/mol:	52.67
Dipole, Da:	3.03
IP(EA), eV:	-8.69(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S)-3,3-dimethylcyclohexyl] propanoate

Drug info:

PubChemData

Smile

CCCCC1C2=C(C=CC(=C2)C3=CC=C(C=C3)C4=CC=C(C=C4)C56CCC(CC5)CC6)C7=C1C=C(C=C7)Br

DOS

IR

Vibrations