Geometry & MOs

Info

ID:

222820

PubChem CID:

85332627

Reduced:

SN5O5C28H39 (1)

Stoich.:

AB5C5D28E39 (1)

Weight, g/mol:

545.334145

ΔHf, kcal/mol:

-174.23

Dipole, Da:

7.78

IP(EA), eV:

 -8.84(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4,6-dimethylpyrimidin-5-yl)-[4-methyl-4-[3-methyl-4-[1-[4-(trifluoromethyl)phenyl]pentyl]piperazin-1-yl]piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CCN1C2C(CCCN2)N(C(=O)C3C1NCC(C3)CCOC4=CC=CC5=C4C=CC=C5S(=O)(=O)NC(=O)C)C

DOS

IR

Vibrations