Geometry & MOs

Info

ID:	407265
PubChem CID:	135079697
Reduced:	NSO2C14H17 (1)
Stoich.:	ABC2D14E17 (1)
Weight, g/mol:	314.04186
ΔH_f, kcal/mol:	-4.07
Dipole, Da:	5.02
IP(EA), eV:	-9.56(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E)-[(E)-4-(3-bromophenyl)but-3-en-2-ylidene]amino]aniline

Drug info:

PubChemData

Smile

CC/C=C/CN(CC#C)S(=O)(=O)C1=CC=CC=C1

DOS

IR

Vibrations