Geometry & MOs

Info

ID:

144301

PubChem CID:

53346790

Reduced:

BrSN4H12C14 (1)

Stoich.:

ABC4D12E14 (1)

Weight, g/mol:

354.102759

ΔHf, kcal/mol:

95.42

Dipole, Da:

4.94

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.326729

Charge, e:

 -1

Chem-info

IUPAC name:

4-[[4-[(2-chlorophenyl)methoxy]phenyl]methylamino]butan-1-ol;chloride

Drug info:

PubChemData

Smile

C1=CC(=CC=C1N)NC2=NC(=CS2)C3=CC=NC=C3.[Br-]

DOS

IR

Vibrations