Geometry & MOs

Info

ID:

41034

PubChem CID:

8145150

Reduced:

N2O6C19H23 (1)

Stoich.:

A2B6C19D23 (1)

Weight, g/mol:

387.05824

ΔHf, kcal/mol:

-198.69

Dipole, Da:

8.17

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.797239

Charge, e:

 0

Chem-info

IUPAC name:

4-bromo-N-[(Z)-[4-(N-methylanilino)-4-oxobutan-2-ylidene]amino]benzamide

Drug info:

PubChemData

Smile

CCOC(=O)C1CC[NH+](CC1)CN2C3=CC4=C(C=C3C(=O)C2=O)OCCO4

DOS

IR

Vibrations