Geometry & MOs

Info

ID:	292655
PubChem CID:	117356480
Reduced:	ClNO2C12H16 (1)
Stoich.:	ABC2D12E16 (1)
Weight, g/mol:	241.086957
ΔH_f, kcal/mol:	-76.95
Dipole, Da:	5.87
IP(EA), eV:	-9.09(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-chloro-2-ethyl-3-methoxyphenyl)-2-(methylamino)ethanone

Drug info:

PubChemData

Smile

CC(C)C1=CC(=C(C(=C1)OC)Cl)C(=O)CN

DOS

IR

Vibrations