Geometry & MOs

Info

ID:	218591
PubChem CID:	85089656
Reduced:	O3H13C15 (2)
Stoich.:	A3B13C15 (2)
Weight, g/mol:	482.205301
ΔH_f, kcal/mol:	-148.82
Dipole, Da:	5.47
IP(EA), eV:	-9.4(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[7-(hydroxymethyl)-3,7-dimethyl-2,4-bis(phenylcarbamoyloxy)-1-bicyclo[4.1.0]heptanyl] acetate

Drug info:

PubChemData

Smile

COC(=O)C1C(C2COC(=O)C2(C(=C1C3=CC=CC=C3)C4=CC=CC=C4)C(=O)OC)C5=CC=CC=C5

DOS

IR

Vibrations