Geometry & MOs

Info

ID:	58738
PubChem CID:	24714797
Reduced:	N2O2C7H9 (2)
Stoich.:	A2B2C7D9 (2)
Weight, g/mol:	318.132805
ΔH_f, kcal/mol:	-16.81
Dipole, Da:	7.04
IP(EA), eV:	-10.06(-1.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]methylamino]hex-5-en-2-ol

Drug info:

PubChemData

Smile

CCCC(CNCC1=NC(=NO1)C2=CC=C(C=C2)[N+](=O)[O-])O

DOS

IR

Vibrations