Geometry & MOs

Info

ID:	239168
PubChem CID:	93166080
Reduced:	NO2C20H25 (1)
Stoich.:	AB2C20D25 (1)
Weight, g/mol:	299.168543
ΔH_f, kcal/mol:	-27.95
Dipole, Da:	3.88
IP(EA), eV:	-8.7(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@](CN(CC1=CC=CC=C1)CC2=CC=CC=C2OC)(C=C)O

DOS

IR

Vibrations