Geometry & MOs

Info

ID:	41731
PubChem CID:	8146996
Reduced:	ClN3O4C14H18 (1)
Stoich.:	AB3C4D14E18 (1)
Weight, g/mol:	327.098584
ΔH_f, kcal/mol:	-81.47
Dipole, Da:	6.3
IP(EA), eV:	-9.61(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chloro-2-nitrophenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]acetamide

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@@H](O1)C)CC(=O)NC2=C(C=C(C=C2)Cl)[N+](=O)[O-]

DOS

IR

Vibrations