Geometry & MOs

Info

ID:	403785
PubChem CID:	135061824
Reduced:	BO4C19H29 (1)
Stoich.:	AB4C19D29 (1)
Weight, g/mol:	368.198759
ΔH_f, kcal/mol:	-268.13
Dipole, Da:	1.29
IP(EA), eV:	-9.12(0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl (5S,6R)-1-[(1R,6S)-7-bicyclo[4.1.0]heptanyl]-6-phenylbicyclo[3.1.0]hexane-3,3-dicarboxylate

Drug info:

PubChemData

Smile

B1(OC(C(O1)(C)C)(C)C)C(CC)(CC(=O)OCC)C2=CC=CC=C2

DOS

IR

Vibrations