Geometry & MOs

Info

ID:

444773

PubChem CID:

135263525

Reduced:

NO12C23H29 (1)

Stoich.:

AB12C23D29 (1)

Weight, g/mol:

529.30529

ΔHf, kcal/mol:

-505.88

Dipole, Da:

3.21

IP(EA), eV:

 -9.35(-0.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[6-(4-acetylpiperazin-1-yl)pyridin-2-yl]-N-[(5-methylfuran-2-yl)-(4-methyl-2-piperidin-1-ylphenyl)methyl]acetamide

Drug info:

PubChemData

Smile

CCNC(=O)OCC1=CC=C(C=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)OC)OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations