Geometry & MOs

Info

ID:	388029
PubChem CID:	134987891
Reduced:	ClN3C9H10 (1)
Stoich.:	AB3C9D10 (1)
Weight, g/mol:	251.956859
ΔH_f, kcal/mol:	68.63
Dipole, Da:	9.08
IP(EA), eV:	-9.18(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-(1-amino-2,2-dichloropropylidene)-[(Z)-1-chloroprop-1-enyl]azanium;chloride

Drug info:

PubChemData

Smile

CC(=C(C#N)C#N)/C=C(/N(C)C)\Cl

DOS

IR

Vibrations