Geometry & MOs

Info

ID:	239166
PubChem CID:	93166077
Reduced:	NOF2C19H21 (1)
Stoich.:	ABC2D19E21 (1)
Weight, g/mol:	311.188529
ΔH_f, kcal/mol:	-83.47
Dipole, Da:	2.11
IP(EA), eV:	-9.38(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[benzyl-[(2-methoxyphenyl)methyl]amino]-2-methylbut-3-en-2-ol

Drug info:

PubChemData

Smile

C[C@@](CN(CC1=CC=C(C=C1)F)CC2=CC=CC=C2F)(C=C)O

DOS

IR

Vibrations