Geometry & MOs

Info

ID:	195660
PubChem CID:	78719130
Reduced:	SN3O3C17H19 (1)
Stoich.:	AB3C3D17E19 (1)
Weight, g/mol:	369.132471
ΔH_f, kcal/mol:	-65.81
Dipole, Da:	6.03
IP(EA), eV:	-9.38(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-cyanoethyl)-2-(4-methoxy-2-nitrophenoxy)-N-phenylpropanamide

Drug info:

PubChemData

Smile

CCC1=C(SN=N1)C(=O)OCC(=O)NC2CCCC3=CC=CC=C23

DOS

IR

Vibrations