Geometry & MOs

Info

ID:	408269
PubChem CID:	135081033
Reduced:	OC11H18 (1)
Stoich.:	AB11C18 (1)
Weight, g/mol:	182.121927
ΔH_f, kcal/mol:	-19.51
Dipole, Da:	1.92
IP(EA), eV:	-9.97(1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R)-2-(4-fluorophenyl)butane-1,3-diamine

Drug info:

PubChemData

Smile

C=CCC[C@@H]([C@H](CC=C)C=C)O

DOS

IR

Vibrations