Geometry & MOs

Info

ID:	283082
PubChem CID:	103957116
Reduced:	BrClN2O2H8C12 (1)
Stoich.:	ABC2D2E8F12 (1)
Weight, g/mol:	249.172879
ΔH_f, kcal/mol:	-29.6
Dipole, Da:	4.57
IP(EA), eV:	-9.44(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-hydroxy-3-methyl-N-(2,3,3-trimethylbutyl)benzamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C(=O)NC2=C(C=CN=C2)Cl)O)Br

DOS

IR

Vibrations