Geometry & MOs

Info

ID:	259024
PubChem CID:	103158010
Reduced:	NOC15H29 (1)
Stoich.:	ABC15D29 (1)
Weight, g/mol:	284.01604
ΔH_f, kcal/mol:	-97.6
Dipole, Da:	1.61
IP(EA), eV:	-8.96(2.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(CCCC1NCC(CC2CCCC2)O)C

DOS

IR

Vibrations