Geometry & MOs

Info

ID:	41730
PubChem CID:	8146992
Reduced:	OS2N4C21H22 (1)
Stoich.:	AB2C4D21E22 (1)
Weight, g/mol:	327.098584
ΔH_f, kcal/mol:	39.68
Dipole, Da:	2.2
IP(EA), eV:	-8.54(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(S1)C2=CSC3=C2C(=O)NC(=N3)CN4CCC[C@H]4C5=CC=CN5C

DOS

IR

Vibrations