Geometry & MOs

Info

ID:	375039
PubChem CID:	131465298
Reduced:	INO2C12H16 (1)
Stoich.:	ABC2D12E16 (1)
Weight, g/mol:	335.00184
ΔH_f, kcal/mol:	-39.8
Dipole, Da:	2.75
IP(EA), eV:	-8.48(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-iodo-2-methoxy-6-[(3R)-morpholin-3-yl]phenol

Drug info:

PubChemData

Smile

COC1=C(C=C(C(=C1)[C@H]2CCCN2)I)OC

DOS

IR

Vibrations