Geometry & MOs

Info

ID:	142293
PubChem CID:	53011542
Reduced:	O2N3C23H23 (1)
Stoich.:	A2B3C23D23 (1)
Weight, g/mol:	459.201888
ΔH_f, kcal/mol:	-4.66
Dipole, Da:	4.88
IP(EA), eV:	-9.7(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-methyl-5-[3-[1-(3-oxo-3-pyrrolidin-1-ylpropyl)benzotriazol-5-yl]-1,2,4-oxadiazol-5-yl]phenyl]acetamide

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)C2=CC(=CC=C2)OC3=NC=NC(=C3)C4=CC=CC=C4

DOS

IR

Vibrations