Geometry & MOs

Info

ID:	39502
PubChem CID:	8141059
Reduced:	NCl2O2C17H17 (1)
Stoich.:	AB2C2D17E17 (1)
Weight, g/mol:	337.063634
ΔH_f, kcal/mol:	-65.81
Dipole, Da:	4.13
IP(EA), eV:	-9.25(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-(3-methylphenoxy)acetamide

Drug info:

PubChemData

Smile

C[C@H](C1=C(C=C(C=C1)Cl)Cl)NC(=O)[C@H](C)OC2=CC=CC=C2

DOS

IR

Vibrations