Geometry & MOs

Info

ID:	294370
PubChem CID:	117454610
Reduced:	ClN2O2C14H19 (1)
Stoich.:	AB2C2D14E19 (1)
Weight, g/mol:	282.113506
ΔH_f, kcal/mol:	-27.15
Dipole, Da:	3.81
IP(EA), eV:	-8.86(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-2-(methylamino)ethanone

Drug info:

PubChemData

Smile

CN1CC(C1)OC2=C(C=C(C=C2OC)Cl)C3(CC3)N

DOS

IR

Vibrations