Geometry & MOs

Info

ID:

179286

PubChem CID:

76461399

Reduced:

Br2N2O3C19H20 (1)

Stoich.:

A2B2C3D19E20 (1)

Weight, g/mol:

674.473084

ΔHf, kcal/mol:

-72.06

Dipole, Da:

1.8

IP(EA), eV:

 -9.31(-1.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-N-[2-(dipropylamino)ethyl]-4-N-[1-[[1-[[1-[methoxy(methyl)amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]benzene-1,4-dicarboxamide

Drug info:

PubChemData

Smile

CCOC(=O)C=CC1=CC(=C(C(=C1)Br)OCC2=NC(=C(N=C2C)C)C)Br

DOS

IR

Vibrations