Geometry & MOs

Info

ID:	204725
PubChem CID:	80000919
Reduced:	FN2C13H15 (1)
Stoich.:	AB2C13D15 (1)
Weight, g/mol:	218.141913
ΔH_f, kcal/mol:	-6.45
Dipole, Da:	3.4
IP(EA), eV:	-8.92(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5,7-dimethyl-1,3-benzoxazol-2-yl)butan-2-amine

Drug info:

PubChemData

Smile

CC(C)(C)N1C=C(C=N1)C2=CC(=CC=C2)F

DOS

IR

Vibrations