Geometry & MOs

Info

ID:	374221
PubChem CID:	131325574
Reduced:	NF3O3H8C9 (1)
Stoich.:	AB3C3D8E9 (1)
Weight, g/mol:	350.91196
ΔH_f, kcal/mol:	-190.99
Dipole, Da:	5.98
IP(EA), eV:	-10.64(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-6-bromo-5-iodo-1,2,3,4-tetrahydronaphthalen-2-amine

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1)[N+](=O)[O-])C(F)(F)F)CO

DOS

IR

Vibrations