Geometry & MOs

Info

ID:	283124
PubChem CID:	103959317
Reduced:	NO3C17H21 (1)
Stoich.:	AB3C17D21 (1)
Weight, g/mol:	306.07712
ΔH_f, kcal/mol:	-84.21
Dipole, Da:	2.71
IP(EA), eV:	-9.01(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[2-(2-chloro-4-nitrophenoxy)phenyl]propan-1-amine

Drug info:

PubChemData

Smile

CC[C@@H](C1=CC=CC=C1OC2=CC(=CC(=C2)OC)OC)N

DOS

IR

Vibrations