Geometry & MOs

Info

ID:

165492

PubChem CID:

74557843

Reduced:

ClFON4C20H23 (1)

Stoich.:

ABCD4E20F23 (1)

Weight, g/mol:

355.193415

ΔHf, kcal/mol:

11.18

Dipole, Da:

5.13

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.756793

Charge, e:

 1

Chem-info

IUPAC name:

2-(4-benzylpiperazin-1-ium-1-yl)-N-[(2-fluorophenyl)methylideneamino]acetamide

Drug info:

PubChemData

Smile

C1CN(CC[NH+]1CC(=O)NN=CC2=C(C=CC=C2Cl)F)CC3=CC=CC=C3

DOS

IR

Vibrations