Geometry & MOs

Info

ID:	277972
PubChem CID:	103832305
Reduced:	O3N4C12H14 (1)
Stoich.:	A3B4C12D14 (1)
Weight, g/mol:	294.078662
ΔH_f, kcal/mol:	31.51
Dipole, Da:	5.77
IP(EA), eV:	-10.34(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-3-methylsulfanyl-1-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]propan-1-amine

Drug info:

PubChemData

Smile

CCC[C@H](C1=NC(=NO1)C2=CC(=CC=C2)[N+](=O)[O-])N

DOS

IR

Vibrations