Geometry & MOs

Info

ID:	203916
PubChem CID:	79891048
Reduced:	ON5C11H11 (1)
Stoich.:	AB5C11D11 (1)
Weight, g/mol:	235.132077
ΔH_f, kcal/mol:	48.96
Dipole, Da:	2.29
IP(EA), eV:	-8.51(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-amino-1,3-benzoxazol-2-yl)amino]-2-methylbutan-1-ol

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1N)N=C(O2)NCC3=NC=CN3

DOS

IR

Vibrations