Geometry & MOs

Info

ID:	276869
PubChem CID:	103825513
Reduced:	N3O5C12H17 (1)
Stoich.:	A3B5C12D17 (1)
Weight, g/mol:	271.097521
ΔH_f, kcal/mol:	-139.97
Dipole, Da:	4.62
IP(EA), eV:	-9.93(-1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-4-hydroxy-N-(4-hydroxy-2,2-dimethylbutyl)benzamide

Drug info:

PubChemData

Smile

CC(C)(CCO)CNC(=O)C1=CC(=CNC1=O)[N+](=O)[O-]

DOS

IR

Vibrations