Geometry & MOs

Info

ID:	385945
PubChem CID:	134980378
Reduced:	C3H4 (3)
Stoich.:	A3B4 (3)
Weight, g/mol:	336.187801
ΔH_f, kcal/mol:	47.84
Dipole, Da:	0.71
IP(EA), eV:	-9.6(1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R,5S,6S)-5-methyl-3-methylidene-1,2,6-triphenylbicyclo[3.1.0]hexane

Drug info:

PubChemData

Smile

C[C@@]12C[C@@H]1[C@H]3C[C@@H]2C=C3

DOS

IR

Vibrations