Geometry & MOs

Info

ID:	139807
PubChem CID:	52600893
Reduced:	ClSN2C17H19 (1)
Stoich.:	ABC2D17E19 (1)
Weight, g/mol:	272.126224
ΔH_f, kcal/mol:	76.27
Dipole, Da:	1.79
IP(EA), eV:	-9.1(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

bis(prop-2-enyl)-[[4-(trifluoromethoxy)phenyl]methyl]azanium

Drug info:

PubChemData

Smile

C=CCN(CC=C)CC1=CSC(=N1)CC2=CC=C(C=C2)Cl

DOS

IR

Vibrations