Geometry & MOs

Info

ID:	283057
PubChem CID:	103956180
Reduced:	BrNO3C13H16 (1)
Stoich.:	ABC3D13E16 (1)
Weight, g/mol:	249.136493
ΔH_f, kcal/mol:	-117.73
Dipole, Da:	2.33
IP(EA), eV:	-9.49(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-hydroxy-3-methyl-N-(4-methyloxan-4-yl)benzamide

Drug info:

PubChemData

Smile

CC1(CCOCC1)NC(=O)C2=CC(=C(C=C2)Br)O

DOS

IR

Vibrations