Geometry & MOs

Info

ID:	204812
PubChem CID:	80012119
Reduced:	BrN2O2C11H15 (1)
Stoich.:	AB2C2D11E15 (1)
Weight, g/mol:	296.05243
ΔH_f, kcal/mol:	-76.52
Dipole, Da:	5.48
IP(EA), eV:	-8.76(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(5-bromo-1,3-benzoxazol-2-yl)-3-methylpentan-1-amine

Drug info:

PubChemData

Smile

CC(C)NCC(=O)NC1=C(C=CC(=C1)Br)O

DOS

IR

Vibrations