Geometry & MOs

Info

ID:	20094
PubChem CID:	579219
Reduced:	OC9H9 (2)
Stoich.:	AB9C9 (2)
Weight, g/mol:	266.13068
ΔH_f, kcal/mol:	-9.46
Dipole, Da:	2.69
IP(EA), eV:	-8.7(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

naphthalen-1-yl bicyclo[4.1.0]heptane-7-carboxylate

Drug info:

PubChemData

Smile

C1CCC2C(C1)C2C(=O)OC3=CC=CC4=CC=CC=C43

DOS

IR

Vibrations