Geometry & MOs

Info

ID:	61361
PubChem CID:	26708571
Reduced:	N4O4H16C19 (1)
Stoich.:	A4B4C16D19 (1)
Weight, g/mol:	387.062198
ΔH_f, kcal/mol:	32.93
Dipole, Da:	9.24
IP(EA), eV:	-9.78(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)[N+](=O)[O-])OC(=O)/C=C/C2=CN(N=N2)CC3=CC=CC=C3

DOS

IR

Vibrations