Geometry & MOs

Info

ID:	408973
PubChem CID:	135081746
Reduced:	H6C7 (3)
Stoich.:	A6B7 (3)
Weight, g/mol:	782.282847
ΔH_f, kcal/mol:	111.28
Dipole, Da:	0.55
IP(EA), eV:	-8.86(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

benzene;(6Z)-4-chloro-6-[(2,6-ditert-butylanilino)methylidene]-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]3C=CC=C[C]3[C]4[C]2C=CC=C4

DOS

IR

Vibrations