Geometry & MOs

Info

ID:	203907
PubChem CID:	79890368
Reduced:	O3N4H10C11 (1)
Stoich.:	A3B4C10D11 (1)
Weight, g/mol:	235.132077
ΔH_f, kcal/mol:	-59.49
Dipole, Da:	4.46
IP(EA), eV:	-8.71(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C(=O)NC(=O)CN1C2=NC3=C(O2)C=CC(=C3)N

DOS

IR

Vibrations