Geometry & MOs

Info

ID:	369831
PubChem CID:	127336398
Reduced:	ClN2O3C21H31 (1)
Stoich.:	AB2C3D21E31 (1)
Weight, g/mol:	389.198442
ΔH_f, kcal/mol:	-146.58
Dipole, Da:	1.65
IP(EA), eV:	-9.29(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-N-[1-(oxan-4-ylsulfonyl)piperidin-4-yl]morpholine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(C1=CC=C(C=C1)Cl)OC)NC(=O)N2CCC(CC2)OC3CCCC3

DOS

IR

Vibrations