Geometry & MOs

Info

ID:	446357
PubChem CID:	135274354
Reduced:	PSC6H14 (1)
Stoich.:	ABC6D14 (1)
Weight, g/mol:	166.09938
ΔH_f, kcal/mol:	-33.63
Dipole, Da:	4.42
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.761109
Charge, e:	0

Chem-info

IUPAC name:

4-(hydroxymethyl)-5-methyl-3,3a,4,6a-tetrahydro-1H-pentalen-2-one

Drug info:

PubChemData

Smile

CCCC(C)CP=S

DOS

IR

Vibrations