Geometry & MOs

Info

ID:	182593
PubChem CID:	76910855
Reduced:	ClN3O3C13H18 (1)
Stoich.:	AB3C3D13E18 (1)
Weight, g/mol:	291.183444
ΔH_f, kcal/mol:	-75.45
Dipole, Da:	5.52
IP(EA), eV:	-8.9(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxyethyl)-3-(3-methoxyphenyl)-N-pentan-3-ylprop-2-enamide

Drug info:

PubChemData

Smile

CC(CN(C)C(=O)C1=C(C=CC(=C1)Cl)OC)C(=NO)N

DOS

IR

Vibrations