Geometry & MOs

Info

ID:

444313

PubChem CID:

135262058

Reduced:

ClF3N6O6C42H44 (1)

Stoich.:

AB3C6D6E42F44 (1)

Weight, g/mol:

372.216141

ΔHf, kcal/mol:

-318.72

Dipole, Da:

5.01

IP(EA), eV:

 -8.8(-1.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-[4-(methoxymethyl)-1,5-dimethylpyrazol-3-yl]piperazine

Drug info:

PubChemData

Smile

CC1(C(C(C1OC2=CC(=C(C=C2)C#N)Cl)(C)C)NC(=O)C3=CC=C(C=C3)N4CCN(CC4)CCOC5=CC6=C(C=C5)C(=O)N(C6=O)C7CCC(NC7=O)C(F)(F)F)C

DOS

IR

Vibrations