Geometry & MOs

Info

ID:	27862
PubChem CID:	823936
Reduced:	NO2Cl3H12C15 (1)
Stoich.:	AB2C3D12E15 (1)
Weight, g/mol:	325.204179
ΔH_f, kcal/mol:	-61.5
Dipole, Da:	2.01
IP(EA), eV:	-8.81(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(2R)-butan-2-yl]phenyl]-2-(4-propan-2-ylphenoxy)acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)COC2=CC(=C(C=C2Cl)Cl)Cl

DOS

IR

Vibrations