Geometry & MOs

Info

ID:	378521
PubChem CID:	134224608
Reduced:	NO2I3C10H10 (1)
Stoich.:	AB2C3D10E10 (1)
Weight, g/mol:	277.204179
ΔH_f, kcal/mol:	-12.88
Dipole, Da:	2.43
IP(EA), eV:	-9.17(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-hydroxy-3,5-dimethylphenyl)-3-(pentylamino)butan-2-one

Drug info:

PubChemData

Smile

CNC(CC1=CC(=C(C(=C1)I)O)I)C(=O)I

DOS

IR

Vibrations