Geometry & MOs

Info

ID:

430369

PubChem CID:

135170433

Reduced:

O3N6C65H71 (1)

Stoich.:

A3B6C65D71 (1)

Weight, g/mol:

338.01746

ΔHf, kcal/mol:

19.88

Dipole, Da:

3.31

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 3.186881

Charge, e:

 0

Chem-info

IUPAC name:

2-[[3-bromo-4-(3-(18F)fluoranylpropoxy)phenyl]methyl]guanidine;hydrochloride

Drug info:

PubChemData

Smile

CCN(CC)C1=CC2=C(C=C1)C3=C(C=C2)C(=C4C=CC5=CC(=[N+](CC)CC)C=CC5=C4O3)C6=CC=C(C=C6)C7=CC8=C(C9=CC=CC=C9C(=C8C=C7)CNCCCNC(=O)C(=C)C)CNCCCNC(=O)C(=C)C

DOS

IR

Vibrations