Geometry & MOs

Info

ID:	281024
PubChem CID:	103852442
Reduced:	BrNF2C10H12 (1)
Stoich.:	ABC2D10E12 (1)
Weight, g/mol:	207.162314
ΔH_f, kcal/mol:	-80.25
Dipole, Da:	2.45
IP(EA), eV:	-9.76(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-[2-[(2-methylpropan-2-yl)oxy]phenyl]propan-1-amine

Drug info:

PubChemData

Smile

CCC[C@H](C1=C(C(=C(C=C1)F)F)Br)N

DOS

IR

Vibrations