Geometry & MOs

Info

ID:	172529
PubChem CID:	75522058
Reduced:	NSO3C12H19 (1)
Stoich.:	ABC3D12E19 (1)
Weight, g/mol:	310.101665
ΔH_f, kcal/mol:	-130.01
Dipole, Da:	4.55
IP(EA), eV:	-8.66(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(2,4-difluorophenyl)methoxy]-3-(hydroxymethyl)-5-methoxyphenyl]methanol

Drug info:

PubChemData

Smile

COCCOCCN1C2=C(CCCC2)SC1=O

DOS

IR

Vibrations