Geometry & MOs

Info

ID:

85574

PubChem CID:

49877071

Reduced:

ClOSN3C19H19 (1)

Stoich.:

ABCD3E19F19 (1)

Weight, g/mol:

164.998629

ΔHf, kcal/mol:

-9.19

Dipole, Da:

4.29

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.052514

Charge, e:

 -1

Chem-info

IUPAC name:

1-(2-chloroethyl)imidazole;chloride

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=C3C(=C(SC3=NC4=C2CCCC4)C(=O)N)N.[Cl-]

DOS

IR

Vibrations