Geometry & MOs

Info

ID:	341380
PubChem CID:	127264073
Reduced:	ON2F6H8C11 (1)
Stoich.:	AB2C6D8E11 (1)
Weight, g/mol:	163.074562
ΔH_f, kcal/mol:	-327.51
Dipole, Da:	3.71
IP(EA), eV:	-9.12(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-(2,1,3-benzoxadiazol-5-yl)ethanamine

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1OC(F)(F)F)NC=C2[C@H](C(F)(F)F)N

DOS

IR

Vibrations