Geometry & MOs

Info

ID:	381018
PubChem CID:	134971643
Reduced:	INC16H20 (1)
Stoich.:	ABC16D20 (1)
Weight, g/mol:	355.0797
ΔH_f, kcal/mol:	93.22
Dipole, Da:	2.59
IP(EA), eV:	-8.79(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,3R)-3-cyclopenta-2,4-dien-1-yl-1-(2-iodocyclopenta-2,4-dien-1-yl)-N,N-dimethylbutan-1-amine

Drug info:

PubChemData

Smile

C[C@H](C[C@H](C1=C([CH-]C=C1)I)N(C)C)C2=C[CH-]C=C2

DOS

IR

Vibrations