Geometry & MOs

Info

ID:

432905

PubChem CID:

135173042

Reduced:

F2O8N9C46H57 (1)

Stoich.:

A2B8C9D46E57 (1)

Weight, g/mol:

420.147024

ΔHf, kcal/mol:

-389.27

Dipole, Da:

12.76

IP(EA), eV:

 -9.29(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

2-chloro-4-[2-[2-chloro-4-[2-(1,3-dimethylimidazol-1-ium-2-yl)hydrazinyl]phenyl]hydrazinyl]-N,N-dimethylaniline

Drug info:

PubChemData

Smile

CC(C(=O)NC(CC(=O)N)C(=O)NC(CCN(C(C1=CC(=CN1CC2=CC=CC=C2)C3=C(C=CC(=C3)F)F)C(C)(C)C)C(=O)CO)C(=O)NC)N(C)C(=O)CNC(=O)CC4=CC=NC=C4

DOS

IR

Vibrations