Geometry & MOs

Info

ID:	193769
PubChem CID:	78434621
Reduced:	ClO2F3N5H11C15 (1)
Stoich.:	AB2C3D5E11F15 (1)
Weight, g/mol:	379.07842
ΔH_f, kcal/mol:	-107.56
Dipole, Da:	21.16
IP(EA), eV:	-7.07(-3.06)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[4-(3-chloro-1-benzothiophen-2-yl)-3,5-dicyano-6-methylpyridin-2-yl]ethenyl-dimethylazanium

Drug info:

PubChemData

Smile

C1=CC2=NC(=O)C(=O)[N+](=C2N=C1)CCNC3=C(C=C(C=[NH+]3)C(F)(F)F)Cl

DOS

IR

Vibrations