Geometry & MOs

Info

ID:	291542
PubChem CID:	113434929
Reduced:	BrNO3H12C14 (1)
Stoich.:	ABC3D12E14 (1)
Weight, g/mol:	362.99675
ΔH_f, kcal/mol:	-74.57
Dipole, Da:	5.68
IP(EA), eV:	-9.52(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-hydroxy-4-iodophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)O)OC2=NC(=C(C=C2)Br)C

DOS

IR

Vibrations