Geometry & MOs

Info

ID:	58737
PubChem CID:	24714795
Reduced:	N4O4C17H24 (1)
Stoich.:	A4B4C17D24 (1)
Weight, g/mol:	306.132805
ΔH_f, kcal/mol:	-32.21
Dipole, Da:	5.08
IP(EA), eV:	-9.94(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC(CNC(C1=NC(=NO1)C2=CC(=CC=C2)[N+](=O)[O-])C(C)C)O

DOS

IR

Vibrations