Geometry & MOs

Info

ID:	381673
PubChem CID:	134972472
Reduced:	IN2C12H13 (1)
Stoich.:	AB2C12D13 (1)
Weight, g/mol:	389.88453
ΔH_f, kcal/mol:	71.15
Dipole, Da:	5.26
IP(EA), eV:	-9.14(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1-iodocyclohexa-2,4-dien-1-yl)methyl]-2H-imidazol-2-ide;palladium(2+)

Drug info:

PubChemData

Smile

CC(C)(C1=CC=CC=C1)N2C=CN=C2I

DOS

IR

Vibrations