Geometry & MOs

Info

ID:	203917
PubChem CID:	79891049
Reduced:	O2N3C12H17 (1)
Stoich.:	A2B3C12D17 (1)
Weight, g/mol:	249.147727
ΔH_f, kcal/mol:	-53.93
Dipole, Da:	3.12
IP(EA), eV:	-8.39(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-(1-methoxy-3-methylbutan-2-yl)-1,3-benzoxazole-2,5-diamine

Drug info:

PubChemData

Smile

CCC(C)(CO)NC1=NC2=C(O1)C=CC(=C2)N

DOS

IR

Vibrations