Geometry & MOs

Info

ID:	14966
PubChem CID:	425437
Reduced:	HgO2C13H19 (1)
Stoich.:	AB2C13D19 (1)
Weight, g/mol:	409.109148
ΔH_f, kcal/mol:	-77.28
Dipole, Da:	5.75
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.973847
Charge, e:	0

Chem-info

IUPAC name:

acetic acid;(2,3,4,5,6-pentamethylphenyl)mercury

Drug info:

PubChemData

Smile

CC1=C(C(=C(C(=C1C)C)[Hg])C)C.CC(=O)O

DOS

IR

Vibrations