Geometry & MOs

Info

ID:	427342
PubChem CID:	135157409
Reduced:	N3H29C40 (1)
Stoich.:	A3B29C40 (1)
Weight, g/mol:	201.115364
ΔH_f, kcal/mol:	219.17
Dipole, Da:	4.38
IP(EA), eV:	-8.21(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]oxyaniline

Drug info:

PubChemData

Smile

C/C=C\C=C\1/C(=C)C2=C(C3=CC=CC=C3N1C4=CC=CC=C4)C5=CC=CC=C5N2C6=CC=C(C=C6)C7=CC=CC(=C7)C#N

DOS

IR

Vibrations