Geometry & MOs

Info

ID:	174151
PubChem CID:	75731159
Reduced:	ClNO2C12H14 (2)
Stoich.:	ABC2D12E14 (2)
Weight, g/mol:	534.205213
ΔH_f, kcal/mol:	-163.45
Dipole, Da:	7.48
IP(EA), eV:	-8.76(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-benzodioxol-5-yl)-2-[[2-(2,3-dichlorophenyl)acetyl]-propylamino]-N-(2,4,4-trimethylpentan-2-yl)acetamide

Drug info:

PubChemData

Smile

CCCN(C(C1=C(C=CC=C1Cl)Cl)C(=O)NC2CCCCC2)C(=O)C3=C(C(=CC=C3)O)O

DOS

IR

Vibrations