Geometry & MOs

Info

ID:	218457
PubChem CID:	85089474
Reduced:	HgO4C15H25 (1)
Stoich.:	AB4C15D25 (1)
Weight, g/mol:	453.135363
ΔH_f, kcal/mol:	-189.61
Dipole, Da:	4.41
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755557
Charge, e:	0

Chem-info

IUPAC name:

(5-methoxycarbonyl-1,1,4a-trimethyl-6-oxo-3,4,5,7,8,8a-hexahydro-2H-naphthalen-2-yl)mercury

Drug info:

PubChemData

Smile

CC1(C2CCC(=O)C(C2(CCC1[Hg])C)C(=O)OC)C.O

DOS

IR

Vibrations