Geometry & MOs

Info

ID:	406800
PubChem CID:	135078668
Reduced:	SN6C12H14 (1)
Stoich.:	AB6C12D14 (1)
Weight, g/mol:	310.123676
ΔH_f, kcal/mol:	101.17
Dipole, Da:	1.92
IP(EA), eV:	-8.73(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-2-(4-chlorophenyl)-3-(4-methylanilino)hex-2-enenitrile

Drug info:

PubChemData

Smile

CC1=CC(=NN1/C(=N\C(=S)NC2=CN=CC=C2)/N)C

DOS

IR

Vibrations