Geometry & MOs

Info

ID:	402345
PubChem CID:	135055598
Reduced:	NO3H15C18 (1)
Stoich.:	AB3C15D18 (1)
Weight, g/mol:	326.188195
ΔH_f, kcal/mol:	-68.49
Dipole, Da:	4.05
IP(EA), eV:	-8.94(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,4R,5R)-5-[(4-methoxyphenyl)methoxymethyl]-7-methylidene-4-prop-2-enylbicyclo[3.2.1]octan-2-one

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C(=CC1=O)C3=CC(=CC=C3)C(=O)OC

DOS

IR

Vibrations