Geometry & MOs

Info

ID:	270637
PubChem CID:	103637425
Reduced:	O2N3C16H17 (1)
Stoich.:	A2B3C16D17 (1)
Weight, g/mol:	311.02694
ΔH_f, kcal/mol:	6.28
Dipole, Da:	3.47
IP(EA), eV:	-8.53(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-2-[[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]methyl]phenol

Drug info:

PubChemData

Smile

CC1=NC(=NO1)CCNCC2=C(C=CC3=CC=CC=C32)O

DOS

IR

Vibrations