Geometry & MOs

Info

ID:

162872

PubChem CID:

57578179

Reduced:

NOSH33C41 (1)

Stoich.:

ABCD33E41 (1)

Weight, g/mol:

967.474664

ΔHf, kcal/mol:

102.21

Dipole, Da:

4.97

IP(EA), eV:

 -7.98(-1.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4Z)-4-[(E)-3-[5-[4-[bis(9,9-dibutylfluoren-2-yl)amino]phenyl]thiophen-2-yl]prop-2-enylidene]-5-oxo-1-phenylpyrazole-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C=C(C=C3)N(C4=CC=C(C=C4)C5=CC=C(S5)C=O)C6=CC7=C(C=C6)C8=CC=CC=C8C7(C)C)C

DOS

IR

Vibrations