Geometry & MOs

Info

ID:	137506
PubChem CID:	52217443
Reduced:	SN2O4C20H24 (1)
Stoich.:	AB2C4D20E24 (1)
Weight, g/mol:	352.178693
ΔH_f, kcal/mol:	-128.01
Dipole, Da:	2.12
IP(EA), eV:	-9.31(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-cyanophenyl)methyl]-2-(2-ethoxyphenoxy)-N-propylacetamide

Drug info:

PubChemData

Smile

C[C@@H]1CN([C@@H](CO1)C)C(=O)C2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC=C3C

DOS

IR

Vibrations