Geometry & MOs

Info

ID:	438675
PubChem CID:	135228425
Reduced:	NI2O2C17H17 (1)
Stoich.:	AB2C2D17E17 (1)
Weight, g/mol:	367.04331
ΔH_f, kcal/mol:	-3.84
Dipole, Da:	1.65
IP(EA), eV:	-9.16(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-(3-iodo-5-methyl-4-phenoxyphenyl)propan-2-amine

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)I)OC2=C(C=C(C=C2C)C[C@@H](C=O)N)I

DOS

IR

Vibrations