Geometry & MOs

Info

ID:	342993
PubChem CID:	127266156
Reduced:	IN2O2C10H13 (1)
Stoich.:	AB2C2D10E13 (1)
Weight, g/mol:	347.99709
ΔH_f, kcal/mol:	-46.85
Dipole, Da:	6.02
IP(EA), eV:	-9.55(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-hydroxy-6-iodopyridin-3-yl)-(1,4-oxazepan-4-yl)methanone

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(N=C1)I)O

DOS

IR

Vibrations