Geometry & MOs

Info

ID:	133718
PubChem CID:	51580048
Reduced:	NSO5H18C20 (1)
Stoich.:	ABC5D18E20 (1)
Weight, g/mol:	279.170868
ΔH_f, kcal/mol:	-105.56
Dipole, Da:	5.67
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.767220
Charge, e:	-1

Chem-info

IUPAC name:

5,5-dimethyl-2-(2-morpholin-4-ylethyliminomethyl)-3-oxocyclohexen-1-olate

Drug info:

PubChemData

Smile

C1C[C@H](OC1)CN2[C@H](C(=C(C2=O)[O-])C(=O)C3=CC=CS3)C4=CC=C(C=C4)O

DOS

IR

Vibrations