Geometry & MOs

Info

ID:	391795
PubChem CID:	135009681
Reduced:	INO2C12H14 (1)
Stoich.:	ABC2D12E14 (1)
Weight, g/mol:	230.08777
ΔH_f, kcal/mol:	-17.8
Dipole, Da:	1.64
IP(EA), eV:	-9.26(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[bis(prop-2-enyl)amino]phenyl] thiocyanate

Drug info:

PubChemData

Smile

COC(=O)C1CN1CC(C2=CC=CC=C2)I

DOS

IR

Vibrations