Geometry & MOs

Info

ID:	157082
PubChem CID:	56422104
Reduced:	N5O6H19C20 (1)
Stoich.:	A5B6C19D20 (1)
Weight, g/mol:	425.089082
ΔH_f, kcal/mol:	-103.19
Dipole, Da:	3.29
IP(EA), eV:	-9.22(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 3-(1H-indazole-3-carbonylamino)propanoate

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC=CC=C1[N+](=O)[O-])OC(=O)CCNC(=O)C2=NNC3=CC=CC=C32

DOS

IR

Vibrations