Geometry & MOs

Info

ID:	218458
PubChem CID:	85089475
Reduced:	HgO3C15H23 (1)
Stoich.:	AB3C15D23 (1)
Weight, g/mol:	468.167179
ΔH_f, kcal/mol:	-132.56
Dipole, Da:	2.65
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755740
Charge, e:	1

Chem-info

IUPAC name:

N-[3-[[1-benzyl-3-(furan-3-ylmethyl)-2,6-dioxopurin-3-ium-8-yl]methyl]phenyl]acetamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations