Geometry & MOs

Info

ID:

427433

PubChem CID:

135158931

Reduced:

ON6C27H34 (1)

Stoich.:

AB6C27D34 (1)

Weight, g/mol:

786.401971

ΔHf, kcal/mol:

70.88

Dipole, Da:

6.93

IP(EA), eV:

 -8.46(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(Z)-[[8-ethyl-9-(2-ethylhexyl)-7-[(Z)-prop-1-enyl]-6-(2,4,6-trimethylcyclohexa-1,5-diene-1-carbonyl)carbazol-3-yl]-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]methylidene]amino] acetate

Drug info:

PubChemData

Smile

CC1=CC(=CN(C1=N/C(=C\C=O)/C2=NN3C=C(N=C(C3=C2)C)C)C)C4CCN(CC4)C5CCC5

DOS

IR

Vibrations