Geometry & MOs

Info

ID:	439177
PubChem CID:	135228942
Reduced:	O2N4C23H24 (1)
Stoich.:	A2B4C23D24 (1)
Weight, g/mol:	360.05863
ΔH_f, kcal/mol:	8.48
Dipole, Da:	2.94
IP(EA), eV:	-8.57(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclohexyl-3-hydroxy-1-(6-iodocyclohexa-2,4-dien-1-yl)propan-1-one

Drug info:

PubChemData

Smile

CC(C)(C)OC(=NC1=CC=CC=C1C(=O)CC2C3=CC=CC=C3C4=CN=CN24)N

DOS

IR

Vibrations