Geometry & MOs

Info

ID:	53348
PubChem CID:	14710549
Reduced:	INC11H16 (1)
Stoich.:	ABC11D16 (1)
Weight, g/mol:	471.214958
ΔH_f, kcal/mol:	51.28
Dipole, Da:	13.26
IP(EA), eV:	-7.14(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC1C([N+]1(C)C)C2=CC=CC=C2.[I-]

DOS

IR

Vibrations