Geometry & MOs

Info

ID:	403200
PubChem CID:	135059146
Reduced:	NPSH22C23 (1)
Stoich.:	ABCD22E23 (1)
Weight, g/mol:	294.040734
ΔH_f, kcal/mol:	75.84
Dipole, Da:	1.89
IP(EA), eV:	-8.68(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(6E)-2-chloro-6-hydroxyiminocyclohexen-1-yl]-(4-nitrophenyl)methanone

Drug info:

PubChemData

Smile

C1CC=C2[C@H]([P@@](C(C2C1)C3=CC=CC=C3)C4=CC=CS4)C5=CC=CC=N5

DOS

IR

Vibrations