Geometry & MOs

Info

ID:	290482
PubChem CID:	104625489
Reduced:	O2N3C12H19 (1)
Stoich.:	A2B3C12D19 (1)
Weight, g/mol:	349.01749
ΔH_f, kcal/mol:	-71.66
Dipole, Da:	5.56
IP(EA), eV:	-10.06(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxy-N-(4-hydroxy-2-methylbutyl)-4-iodobenzamide

Drug info:

PubChemData

Smile

CCC1=C(C=C(N=N1)C)C(=O)NC(CC)CO

DOS

IR

Vibrations