Geometry & MOs

Info

ID:	388381
PubChem CID:	134989007
Reduced:	ClOC10H11 (1)
Stoich.:	ABC10D11 (1)
Weight, g/mol:	148.088815
ΔH_f, kcal/mol:	-12.46
Dipole, Da:	2.97
IP(EA), eV:	-10.0(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,4R,7R)-tricyclo[5.3.0.01,4]dec-9-en-2-one

Drug info:

PubChemData

Smile

CC(=C)[C@]1([C@@H]2C=CC[C@@H]2C1=O)Cl

DOS

IR

Vibrations