Geometry & MOs

Info

ID:

341783

PubChem CID:

127264476

Reduced:

SiO5C23H36 (1)

Stoich.:

AB5C23D36 (1)

Weight, g/mol:

559.215487

ΔHf, kcal/mol:

-289.89

Dipole, Da:

1.99

IP(EA), eV:

 -8.79(0.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]-11-methyl-5H-pyrimido[4,5-b][1,4]benzodiazepin-6-one;2,2,2-trifluoroacetic acid

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)O[C@@H]1C[C@H]2[C@@H]([C@H]1CO)C3=CC=CC(=C3O2)CCCC(=O)OC

DOS

IR

Vibrations