Geometry & MOs

Info

ID:	389347
PubChem CID:	134992428
Reduced:	OC5H7 (2)
Stoich.:	AB5C7 (2)
Weight, g/mol:	122.10955
ΔH_f, kcal/mol:	-94.23
Dipole, Da:	4.81
IP(EA), eV:	-10.08(0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6R,7R)-6,7-dimethylcyclohepta-1,4-diene

Drug info:

PubChemData

Smile

C[C@@H]1C=CC[C@@H]2[C@H]1C(=O)O[C@H]2C

DOS

IR

Vibrations