Geometry & MOs

Info

ID:	394213
PubChem CID:	135022539
Reduced:	BrNSO2H20C21 (1)
Stoich.:	ABCD2E20F21 (1)
Weight, g/mol:	232.157563
ΔH_f, kcal/mol:	-13.1
Dipole, Da:	5.99
IP(EA), eV:	-9.81(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-N,N-di(propan-2-yl)-1,3-benzoxazol-2-amine

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)C2=CC(=C(C=C2)Br)C3=CC=CC=N3

DOS

IR

Vibrations