Geometry & MOs

Info

ID:	394382
PubChem CID:	135022893
Reduced:	BrClNO2H15C16 (1)
Stoich.:	ABCD2E15F16 (1)
Weight, g/mol:	374.07428
ΔH_f, kcal/mol:	-51.3
Dipole, Da:	4.17
IP(EA), eV:	-9.39(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

hydroxy-(2-methoxy-3,4,5-trimethylcyclohex-3-en-1-yl)-phenyl-lambda3-iodane

Drug info:

PubChemData

Smile

CCNC(=O)C1=C(C=C(C=C1)C)OC2=C(C=C(C=C2)Cl)Br

DOS

IR

Vibrations