Geometry & MOs

Info

ID:	236453
PubChem CID:	92713062
Reduced:	O3N5H21C24 (1)
Stoich.:	A3B5C21D24 (1)
Weight, g/mol:	427.16444
ΔH_f, kcal/mol:	38.38
Dipole, Da:	5.51
IP(EA), eV:	-8.96(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2S)-2-(benzotriazol-1-ylmethyl)-5-(4-phenylmethoxyphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone

Drug info:

PubChemData

Smile

CC(=O)N1[C@H](OC(=N1)C2=CC=C(C=C2)OCC3=CC=CC=C3)CN4C5=CC=CC=C5N=N4

DOS

IR

Vibrations