Geometry & MOs

Info

ID:	28091
PubChem CID:	825479
Reduced:	NSCl2O2H9C12 (1)
Stoich.:	ABC2D2E9F12 (1)
Weight, g/mol:	238.110613
ΔH_f, kcal/mol:	-45.72
Dipole, Da:	4.09
IP(EA), eV:	-9.08(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-4-(5-methyl-1,3-benzoxazol-2-yl)aniline

Drug info:

PubChemData

Smile

C1=CC(=CC=C1S(=O)(=O)C2=CC(=C(C=C2)Cl)N)Cl

DOS

IR

Vibrations