Geometry & MOs

Info

ID:	204727
PubChem CID:	80001167
Reduced:	ON2C17H26 (1)
Stoich.:	AB2C17D26 (1)
Weight, g/mol:	274.204513
ΔH_f, kcal/mol:	-39.4
Dipole, Da:	3.2
IP(EA), eV:	-9.01(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(5,7-dimethyl-1,3-benzoxazol-2-yl)ethyl]-4-methylpentan-1-amine

Drug info:

PubChemData

Smile

CCCC(CCC1=NC2=CC(=CC(=C2O1)C)C)CCN

DOS

IR

Vibrations