Geometry & MOs

Info

ID:	218413
PubChem CID:	85089406
Reduced:	N2O2Cl3H21C23 (1)
Stoich.:	A2B2C3D21E23 (1)
Weight, g/mol:	462.07097
ΔH_f, kcal/mol:	-36.69
Dipole, Da:	3.97
IP(EA), eV:	-9.42(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(4-bromophenyl)-2-(4-chlorophenyl)ethoxy]-N-(cyanomethyl)-4-methylpentanamide

Drug info:

PubChemData

Smile

CCCCC1=NC=C(N1CC2=CC=CC=C2Cl)C=C(C3=CC(=C(C=C3)Cl)Cl)C(=O)O

DOS

IR

Vibrations