Geometry & MOs

Info

ID:

408977

PubChem CID:

135081750

Reduced:

C29H34 (1)

Stoich.:

A29B34 (1)

Weight, g/mol:

766.312397

ΔHf, kcal/mol:

73.03

Dipole, Da:

1.53

IP(EA), eV:

 -8.61(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 -1

Chem-info

IUPAC name:

benzene;(6Z)-6-[(2,6-ditert-butylanilino)methylidene]-4-fluoro-2-propan-2-ylcyclohexa-2,4-dien-1-one;nickel;triphenylphosphane

Drug info:

PubChemData

Smile

C[C]1[CH][CH][C]([CH]1)CC[C]2[C]3[C](C=CC=C3C(C)(C)C)[C]4[C]2C(=CC=C4)C(C)(C)C

DOS

IR

Vibrations