Geometry & MOs

Info

ID:	158246
PubChem CID:	56463225
Reduced:	SN4O5C19H24 (1)
Stoich.:	AB4C5D19E24 (1)
Weight, g/mol:	332.246378
ΔH_f, kcal/mol:	-43.85
Dipole, Da:	4.1
IP(EA), eV:	-8.77(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[cyclopropyl(methyl)amino]propyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide

Drug info:

PubChemData

Smile

CC(CNC(=O)C1=CC(=C(C=C1[N+](=O)[O-])OCC2=CSC=N2)OC)N(C)C3CC3

DOS

IR

Vibrations