Geometry & MOs

Info

ID:	239146
PubChem CID:	93166053
Reduced:	FNO2C17H24 (1)
Stoich.:	ABC2D17E24 (1)
Weight, g/mol:	293.179107
ΔH_f, kcal/mol:	-111.31
Dipole, Da:	6.51
IP(EA), eV:	-8.91(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-[(4-fluorophenyl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-methylbut-3-en-2-ol

Drug info:

PubChemData

Smile

C[C@@](CN(C[C@@H]1CCCO1)CC2=CC=C(C=C2)F)(C=C)O

DOS

IR

Vibrations