Geometry & MOs

Info

ID:	405263
PubChem CID:	135073273
Reduced:	BrN2H17C22 (1)
Stoich.:	AB2C17D22 (1)
Weight, g/mol:	304.193949
ΔH_f, kcal/mol:	152.66
Dipole, Da:	4.02
IP(EA), eV:	-8.75(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E)-hexylideneamino]-N-(3-phenylprop-2-ynyl)aniline

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C#CCN(C2=CC=CC=C2)/N=C/C3=CC=C(C=C3)Br

DOS

IR

Vibrations