Geometry & MOs

Info

ID:	204726
PubChem CID:	80001166
Reduced:	ON2C13H18 (1)
Stoich.:	AB2C13D18 (1)
Weight, g/mol:	274.204513
ΔH_f, kcal/mol:	-21.91
Dipole, Da:	2.06
IP(EA), eV:	-8.99(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(5,7-dimethyl-1,3-benzoxazol-2-yl)ethyl]hexan-1-amine

Drug info:

PubChemData

Smile

CCC(C)(C1=NC2=CC(=CC(=C2O1)C)C)N

DOS

IR

Vibrations