Geometry & MOs

Info

ID:	236900
PubChem CID:	92715527
Reduced:	N4O7H16C18 (1)
Stoich.:	A4B7C16D18 (1)
Weight, g/mol:	391.128054
ΔH_f, kcal/mol:	-51.18
Dipole, Da:	9.44
IP(EA), eV:	-9.52(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R)-5-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-2-(2-nitrophenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OCC2=NN([C@@H](O2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)C)[N+](=O)[O-]

DOS

IR

Vibrations