Geometry & MOs

Info

ID:	399931
PubChem CID:	135043912
Reduced:	ON2C14H20 (1)
Stoich.:	AB2C14D20 (1)
Weight, g/mol:	217.94667
ΔH_f, kcal/mol:	-38.61
Dipole, Da:	3.8
IP(EA), eV:	-9.3(0.37)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-iodocyclohexa-1,3,5-trien-1-amine

Drug info:

PubChemData

Smile

CC(C)(C)[C@@H]1N[C@@H](C(=O)N1)CC2=CC=CC=C2

DOS

IR

Vibrations