Geometry & MOs

Info

ID:	203898
PubChem CID:	79890036
Reduced:	ON3C15H15 (1)
Stoich.:	AB3C15D15 (1)
Weight, g/mol:	249.147727
ΔH_f, kcal/mol:	28.68
Dipole, Da:	1.85
IP(EA), eV:	-8.16(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-amino-1,3-benzoxazol-2-yl)amino]-4-methylpentan-1-ol

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CNC2=NC3=C(C=CC=C3O2)N

DOS

IR

Vibrations