Geometry & MOs

Info

ID:

225835

PubChem CID:

87226506

Reduced:

SSiN6O8C53H56 (1)

Stoich.:

ABC6D8E53F56 (1)

Weight, g/mol:

367.200825

ΔHf, kcal/mol:

-213.88

Dipole, Da:

10.71

IP(EA), eV:

 -8.47(-1.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3E)-N-[2-(3-hydroxypiperidin-1-yl)ethyl]-3-indol-2-ylidene-2-methyl-1H-pyrazole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC2=C(C(=CN=C12)C(=O)N)NC3=CC(=CC=C3)OC)S(=O)(=O)C4=CC=CC(=C4)C(=O)NC5=CC=C(C=C5)C#CCCCNCC(C6=C7C=CC(=O)NC7=C(C=C6)O)O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations