Geometry & MOs

Info

ID:	410766
PubChem CID:	135083567
Reduced:	BF3H7C9 (1)
Stoich.:	AB3C7D9 (1)
Weight, g/mol:	212.064886
ΔH_f, kcal/mol:	-153.46
Dipole, Da:	13.88
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.955226
Charge, e:	0

Chem-info

IUPAC name:

2,2-difluoro-1-(4-methoxyphenyl)but-3-yn-1-ol

Drug info:

PubChemData

Smile

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DOS

IR

Vibrations