Geometry & MOs

Info

ID:	139270
PubChem CID:	52501707
Reduced:	BrON6H19C20 (1)
Stoich.:	ABC6D19E20 (1)
Weight, g/mol:	438.08037
ΔH_f, kcal/mol:	116.7
Dipole, Da:	7.76
IP(EA), eV:	-9.3(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-N-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-1-[4-(1,2,4-triazol-1-yl)phenyl]ethanamine

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=C(C=C1)N2C=NC=N2)N(C)CC3=NN=C(O3)C4=CC(=CC=C4)Br

DOS

IR

Vibrations