Geometry & MOs

Info

ID:

164112

PubChem CID:

74382031

Reduced:

NO4C24H35 (2)

Stoich.:

AB4C24D35 (2)

Weight, g/mol:

366.177744

ΔHf, kcal/mol:

-415.16

Dipole, Da:

3.71

IP(EA), eV:

 -9.47(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

2-[5-methylidene-3-[2-[[2-(4-methylpiperazin-1-yl)acetyl]amino]ethyl]-2,6-dioxopyrimidin-3-ium-1-yl]acetic acid

Drug info:

PubChemData

Smile

CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)OC(=O)CC(C)(C)C(=O)O)C)C(=O)NCCC6=CC=CC=C6C(=O)NCCC(=O)O

DOS

IR

Vibrations