Geometry & MOs

Info

ID:	227040
PubChem CID:	87559874
Reduced:	NSO5C13H26 (1)
Stoich.:	ABC5D13E26 (1)
Weight, g/mol:	384.050121
ΔH_f, kcal/mol:	-185.21
Dipole, Da:	5.94
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754164
Charge, e:	0

Chem-info

IUPAC name:

methanol;(4-methylphenyl)methanol;tetrafluorozirconium

Drug info:

PubChemData

Smile

CC(C(=O)C(=C)C)OC(C)[N+](C)(C)CCCS(=O)(=O)O

DOS

IR

Vibrations