Geometry & MOs

Info

ID:	4457
PubChem CID:	11434
Reduced:	HgOC14H21 (1)
Stoich.:	ABC14D21 (1)
Weight, g/mol:	407.129884
ΔH_f, kcal/mol:	-23.6
Dipole, Da:	1.83
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.839466
Charge, e:	0

Chem-info

IUPAC name:

[2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]mercury

Drug info:

PubChemData

Smile

CC(C)(C)CC(C)(C)C1=CC(=C(C=C1)O)[Hg]

DOS

IR

Vibrations