Geometry & MOs

Info

ID:

62902

PubChem CID:

26737558

Reduced:

O2N5C28H34 (1)

Stoich.:

A2B5C28D34 (1)

Weight, g/mol:

422.115055

ΔHf, kcal/mol:

34.8

Dipole, Da:

7.24

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.752553

Charge, e:

 1

Chem-info

IUPAC name:

3,6-dichloro-N'-[3-(4-phenylpiperazin-1-ium-1-yl)propanoyl]pyridine-2-carbohydrazide

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C2=CC=CC=C2)C)/C=C/C(=O)NNC(=O)CC[NH+]3CCN(CC3)C4=CC=CC=C4

DOS

IR

Vibrations