Geometry & MOs

Info

ID:	199459
PubChem CID:	79249565
Reduced:	NOC15H23 (1)
Stoich.:	ABC15D23 (1)
Weight, g/mol:	241.147807
ΔH_f, kcal/mol:	-50.66
Dipole, Da:	2.67
IP(EA), eV:	-8.8(0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]-3-methylbutan-1-ol

Drug info:

PubChemData

Smile

CC(C)C(CO)NCC1=CC2=C(CCC2)C=C1

DOS

IR

Vibrations