Geometry & MOs

Info

ID:	283122
PubChem CID:	103959242
Reduced:	NOC17H21 (1)
Stoich.:	ABC17D21 (1)
Weight, g/mol:	255.162314
ΔH_f, kcal/mol:	-11.23
Dipole, Da:	2.83
IP(EA), eV:	-8.89(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[2-(3,4-dimethylphenoxy)phenyl]propan-1-amine

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)OC2=CC=CC=C2[C@H](CC)N

DOS

IR

Vibrations