Geometry & MOs

Info

ID:	379053
PubChem CID:	134352178
Reduced:	ClSO3N5C41H54 (1)
Stoich.:	ABC3D5E41F54 (1)
Weight, g/mol:	260.108026
ΔH_f, kcal/mol:	26.07
Dipole, Da:	10.28
IP(EA), eV:	-5.75(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E)-(4-chloro-5-ethenyl-1-methyl-2,6-dihydropyridin-3-ylidene)methyl]aniline

Drug info:

PubChemData

Smile

CCCCC[N+]1=CC=CC2=C1N=C(C2(C)C)/C=C/C3=C(/C(=C/C=C/4\C(C5=CC=CN(C5=N4)CCCCS(=O)(=O)O)(C)C)/C[N+](C3)(C)CCC#C)Cl

DOS

IR

Vibrations