Geometry & MOs

Info

ID:

26170

PubChem CID:

639862

Reduced:

SN2O2C19H19 (1)

Stoich.:

AB2C2D19E19 (1)

Weight, g/mol:

184.125201

ΔHf, kcal/mol:

-11.79

Dipole, Da:

4.24

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.782690

Charge, e:

 0

Chem-info

IUPAC name:

2-phenyl-1,2,3,4,5,6-hexahydropentalene

Drug info:

PubChemData

Smile

CCSC1=[N+](C(=C(C(=O)N1C2=CC=CC=C2)C)O)C3=CC=CC=C3

DOS

IR

Vibrations