Geometry & MOs

Info

ID:	405842
PubChem CID:	135075604
Reduced:	ClHgOC12H21 (1)
Stoich.:	ABCD12E21 (1)
Weight, g/mol:	196.109944
ΔH_f, kcal/mol:	-81.26
Dipole, Da:	4.06
IP(EA), eV:	-9.5(0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1S)-1-acetyl-2-methylidenecyclohexane-1-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C([C@H](CC1)[Hg]Cl)(C)C)CCCO

DOS

IR

Vibrations