Geometry & MOs

Info

ID:	372670
PubChem CID:	131301862
Reduced:	NF2C12H15 (1)
Stoich.:	AB2C12D15 (1)
Weight, g/mol:	321.98144
ΔH_f, kcal/mol:	-86.5
Dipole, Da:	1.77
IP(EA), eV:	-9.07(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-amino-1-(2-iodo-5-nitrophenyl)propan-2-ol

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1)[C@@H]2CCCCN2)F)F

DOS

IR

Vibrations