Geometry & MOs

Info

ID:	28544
PubChem CID:	828293
Reduced:	O3C20H20 (1)
Stoich.:	A3B20C20 (1)
Weight, g/mol:	308.141245
ΔH_f, kcal/mol:	-78.07
Dipole, Da:	3.04
IP(EA), eV:	-8.98(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-acetylnaphthalen-1-yl) (1R,6S)-bicyclo[4.1.0]heptane-7-carboxylate

Drug info:

PubChemData

Smile

CC(=O)C1=C(C2=CC=CC=C2C=C1)OC(=O)C3[C@@H]4[C@@H]3CCCC4

DOS

IR

Vibrations