Geometry & MOs

Info

ID:

170984

PubChem CID:

75307675

Reduced:

N2O6C21H22 (1)

Stoich.:

A2B6C21D22 (1)

Weight, g/mol:

678.282041

ΔHf, kcal/mol:

-226.46

Dipole, Da:

4.31

IP(EA), eV:

 -9.16(-0.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[5-(dimethylamino)pentyl]-3-[[10-[[5-(dimethylamino)pentylcarbamothioylhydrazinylidene]methyl]anthracen-9-yl]methylideneamino]thiourea;dihydrochloride

Drug info:

PubChemData

Smile

CC1C=C2C(C3C1C(=O)NC3=O)C4=CC=CC=C4C(N2C(=O)OC)CC(=O)OC

DOS

IR

Vibrations