Geometry & MOs

Info

ID:	275866
PubChem CID:	103818512
Reduced:	ON5C14H15 (1)
Stoich.:	AB5C14D15 (1)
Weight, g/mol:	362.9774
ΔH_f, kcal/mol:	73.9
Dipole, Da:	7.29
IP(EA), eV:	-8.61(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)CNC2=CC=CC(=C2)C3=NN=CO3

DOS

IR

Vibrations