Geometry & MOs

Info

ID:	36732
PubChem CID:	8011982
Reduced:	ClN2O3C18H20 (1)
Stoich.:	AB2C3D18E20 (1)
Weight, g/mol:	291.147058
ΔH_f, kcal/mol:	-36.35
Dipole, Da:	6.84
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.189124
Charge, e:	0

Chem-info

IUPAC name:

morpholin-4-yl-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone

Drug info:

PubChemData

Smile

CC1=C(OC2=C1C=CC=C2Cl)C(=O)NC[C@@H](C3=CC=CO3)[NH+](C)C

DOS

IR

Vibrations