Geometry & MOs

Info

ID:	405262
PubChem CID:	135073262
Reduced:	NO4C30H37 (1)
Stoich.:	AB4C30D37 (1)
Weight, g/mol:	388.05751
ΔH_f, kcal/mol:	-16.31
Dipole, Da:	5.2
IP(EA), eV:	-9.5(-1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E)-(4-bromophenyl)methylideneamino]-N-(3-phenylprop-2-ynyl)aniline

Drug info:

PubChemData

Smile

CCCCCCC(=C)C#CC(CCCC#CC(=C)C1CCCC1)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations