Geometry & MOs

Info

ID:	303808
PubChem CID:	124490203
Reduced:	ON2H18C20 (1)
Stoich.:	AB2C18D20 (1)
Weight, g/mol:	258.140851
ΔH_f, kcal/mol:	32.99
Dipole, Da:	4.91
IP(EA), eV:	-8.59(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,6aR)-2,5-diphenyl-1,3a,4,6a-tetrahydropentalene

Drug info:

PubChemData

Smile

C1CC2=C([C@H](C=C(N2)C3=CC=NC=C3)C4=CC=CC=C4)C(=O)C1

DOS

IR

Vibrations