Geometry & MOs

Info

ID:	337104
PubChem CID:	127256669
Reduced:	O4C13H16 (1)
Stoich.:	A4B13C16 (1)
Weight, g/mol:	193.040879
ΔH_f, kcal/mol:	-130.03
Dipole, Da:	3.21
IP(EA), eV:	-8.52(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methanesulfonic acid;2H-pyran-4-amine

Drug info:

PubChemData

Smile

CO[C@H]1CCC=CC1C(=O)OC2=CC=COC2

DOS

IR

Vibrations