Geometry & MOs

Info

ID:	236369
PubChem CID:	92712543
Reduced:	N2O2C9H9 (2)
Stoich.:	A2B2C9D9 (2)
Weight, g/mol:	354.132805
ΔH_f, kcal/mol:	-4.53
Dipole, Da:	3.11
IP(EA), eV:	-9.14(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)N1[C@@H](OC(=N1)C2=CC=CC=C2)C3=CC(=C(C=C3)N(C)C)[N+](=O)[O-]

DOS

IR

Vibrations