Geometry & MOs

Info

ID:

433345

PubChem CID:

135173482

Reduced:

N3O4C30H37 (1)

Stoich.:

A3B4C30D37 (1)

Weight, g/mol:

520.421323

ΔHf, kcal/mol:

-142.62

Dipole, Da:

4.26

IP(EA), eV:

 -9.28(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-methyl-2-[3-[1-[2-(methylamino)-2-oxoethyl]-4-(4-methylpiperazin-1-yl)piperidin-2-yl]-4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)NCC2=CC=C(C=C2)C3CCOCC3)N4CC5=CC=CC=C5C4=O

DOS

IR

Vibrations