Geometry & MOs

Info

ID:	283127
PubChem CID:	103959350
Reduced:	ON2C16H26 (1)
Stoich.:	AB2C16D26 (1)
Weight, g/mol:	350.0266
ΔH_f, kcal/mol:	-39.4
Dipole, Da:	5.29
IP(EA), eV:	-8.66(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-[2-(4-bromo-2-nitrophenoxy)phenyl]propan-1-amine

Drug info:

PubChemData

Smile

CC[C@@H](C1=CC=CC=C1OCCC2CCCN2C)N

DOS

IR

Vibrations