Geometry & MOs

Info

ID:	193245
PubChem CID:	78362963
Reduced:	NO2C13H14 (2)
Stoich.:	AB2C13D14 (2)
Weight, g/mol:	417.147075
ΔH_f, kcal/mol:	-101.11
Dipole, Da:	0.89
IP(EA), eV:	-8.7(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,6-dimethylmorpholin-4-yl)-5-[[3-(3-nitrophenyl)pyrazolidin-4-yl]methylidene]-1,3-thiazol-4-one

Drug info:

PubChemData

Smile

CC1CC2C(CC1C)OC3=C(C2=O)C(N(C3=O)C4=NC=C(C=C4)C)C5=CC=C(C=C5)OC

DOS

IR

Vibrations