Geometry & MOs

Info

ID:	385524
PubChem CID:	134979305
Reduced:	PO2C23H31 (1)
Stoich.:	AB2C23D31 (1)
Weight, g/mol:	310.172151
ΔH_f, kcal/mol:	-99.9
Dipole, Da:	6.1
IP(EA), eV:	-9.42(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,7S)-1,7-diphenyltetracyclo[5.5.0.02,6.08,12]dodeca-3,9-diene

Drug info:

PubChemData

Smile

CCCCC[C@@H](/C(=C/[C@H](C)O)/C)P(=O)(C1=CC=CC=C1)C2=CC=CC=C2

DOS

IR

Vibrations