Geometry & MOs

Info

ID:	387686
PubChem CID:	134986441
Reduced:	ClN2H11C13 (1)
Stoich.:	AB2C11D13 (1)
Weight, g/mol:	236.009488
ΔH_f, kcal/mol:	88.24
Dipole, Da:	2.35
IP(EA), eV:	-8.38(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-(1-amino-2,2,2-trifluoroethylidene)-[(Z)-1-chlorobut-1-enyl]azanium;chloride

Drug info:

PubChemData

Smile

CC1=CN(C2=CC=CC=C12)/C(=C(/[N+]#[C-])\Cl)/C

DOS

IR

Vibrations