Geometry & MOs

Info

ID:	404961
PubChem CID:	135071966
Reduced:	FeN2H16C19 (1)
Stoich.:	AB2C16D19 (1)
Weight, g/mol:	279.100777
ΔH_f, kcal/mol:	303.53
Dipole, Da:	3.08
IP(EA), eV:	-7.69(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-nitro-N-[(Z)-4-phenylbut-3-yn-2-ylideneamino]aniline

Drug info:

PubChemData

Smile

C1=C[CH]C=C1.C1=CC=C(C=C1)N/N=C\C#CC2=C[CH]C=C2.[Fe]

DOS

IR

Vibrations