Geometry & MOs

Info

ID:

442133

PubChem CID:

135250009

Reduced:

S2N4H48C53 (1)

Stoich.:

A2B4C48D53 (1)

Weight, g/mol:

370.179361

ΔHf, kcal/mol:

174.43

Dipole, Da:

1.79

IP(EA), eV:

 -8.41(-1.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[3-[4-(1-ethylpyrazol-4-yl)phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2-methylbut-3-yn-2-ol

Drug info:

PubChemData

Smile

CC1(C(SC(=N1)C2=CN=C(C=C2)C3=CC4=C(C=C3)C5=C(C4(C6=CC=CC=C6)C7=CC=CC=C7)C=C(C8=CC=CC=C85)C9=NC=C(C=C9)C1=NC(C(S1)(C)C)(C)C)(C)C)C

DOS

IR

Vibrations