Geometry & MOs

Info

ID:

382983

PubChem CID:

134974444

Reduced:

N3C11H12 (1)

Stoich.:

A3B11C12 (1)

Weight, g/mol:

185.095297

ΔHf, kcal/mol:

116.38

Dipole, Da:

8.51

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.065333

Charge, e:

 0

Chem-info

IUPAC name:

4-(2-phenylethynyl)-2,3-dihydro-1H-imidazol-2-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C#CC2=C[NH2+]C(N2)N

DOS

IR

Vibrations