Geometry & MOs

Info

ID:	385946
PubChem CID:	134980379
Reduced:	H12C13 (2)
Stoich.:	A12B13 (2)
Weight, g/mol:	288.187801
ΔH_f, kcal/mol:	92.17
Dipole, Da:	0.86
IP(EA), eV:	-9.04(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,4R,6aR)-4,5-dimethyl-4,6-diphenyl-2,3,3a,6a-tetrahydro-1H-pentalene

Drug info:

PubChemData

Smile

C[C@@]12CC(=C)[C@@H]([C@@]1([C@H]2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations