Geometry & MOs

Info

ID:	389122
PubChem CID:	134991239
Reduced:	C7H9 (2)
Stoich.:	A7B9 (2)
Weight, g/mol:	180.11503
ΔH_f, kcal/mol:	53.59
Dipole, Da:	0.49
IP(EA), eV:	-9.04(0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1S,2R,4S)-2-methylbicyclo[2.2.2]oct-5-ene-2-carboxylate

Drug info:

PubChemData

Smile

CC1(C=C1)C2=CC=C(C=C2)C(C)(C)C

DOS

IR

Vibrations