Geometry & MOs

Info

ID:	271210
PubChem CID:	103647931
Reduced:	O2N3C16H17 (1)
Stoich.:	A2B3C16D17 (1)
Weight, g/mol:	311.02694
ΔH_f, kcal/mol:	6.84
Dipole, Da:	2.35
IP(EA), eV:	-8.63(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NOC(=N1)CCNCC2=C(C=CC3=CC=CC=C32)O

DOS

IR

Vibrations