Geometry & MOs

Info

ID:	236455
PubChem CID:	92713098
Reduced:	O2N5H19C25 (1)
Stoich.:	A2B5C19D25 (1)
Weight, g/mol:	381.143704
ΔH_f, kcal/mol:	93.23
Dipole, Da:	3.73
IP(EA), eV:	-8.64(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)N1[C@H](OC(=N1)C2=C3C=CC=CC3=CC4=CC=CC=C42)CN5C6=CC=CC=C6N=N5

DOS

IR

Vibrations