Geometry & MOs

Info

ID:	203925
PubChem CID:	79891057
Reduced:	ClOSN2H9C13 (1)
Stoich.:	ABCD2E9F13 (1)
Weight, g/mol:	239.105862
ΔH_f, kcal/mol:	34.84
Dipole, Da:	2.5
IP(EA), eV:	-8.61(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-(3-methylphenyl)-1,3-benzoxazole-2,6-diamine

Drug info:

PubChemData

Smile

C1=CC(=CC=C1SC2=NC3=C(O2)C=CC(=C3)N)Cl

DOS

IR

Vibrations