Geometry & MOs

Info

ID:	203913
PubChem CID:	79890905
Reduced:	BrOSN2H9C13 (1)
Stoich.:	ABCD2E9F13 (1)
Weight, g/mol:	239.105862
ΔH_f, kcal/mol:	48.55
Dipole, Da:	2.37
IP(EA), eV:	-8.69(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-methyl-2-N-phenyl-1,3-benzoxazole-2,4-diamine

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Br)SC2=NC3=C(O2)C=CC(=C3)N

DOS

IR

Vibrations