Geometry & MOs

Info

ID:	172464
PubChem CID:	75512817
Reduced:	NC6H9 (3)
Stoich.:	AB6C9 (3)
Weight, g/mol:	300.96175
ΔH_f, kcal/mol:	31.26
Dipole, Da:	4.1
IP(EA), eV:	-8.57(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-4-chloro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]aniline

Drug info:

PubChemData

Smile

CC(C)(C)CCN1CCN(CC1)C(C#N)C2=CC=CC=C2

DOS

IR

Vibrations