Geometry & MOs

Info

ID:	239145
PubChem CID:	93166052
Reduced:	FNOC15H22 (1)
Stoich.:	ABCD15E22 (1)
Weight, g/mol:	293.179107
ΔH_f, kcal/mol:	-73.66
Dipole, Da:	2.11
IP(EA), eV:	-8.67(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCN(CC1=CC=C(C=C1)F)C[C@](C)(C=C)O

DOS

IR

Vibrations