Geometry & MOs

Info

ID:	237605
PubChem CID:	92719958
Reduced:	BrN3O3H24C25 (1)
Stoich.:	AB3C3D24E25 (1)
Weight, g/mol:	433.07897
ΔH_f, kcal/mol:	11.49
Dipole, Da:	2.81
IP(EA), eV:	-8.36(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)CN[C@H](C2=CC=C(C=C2)Br)C3=NN=C(O3)C4=CC=CC=C4)OC

DOS

IR

Vibrations