Geometry & MOs

Info

ID:	292291
PubChem CID:	114915911
Reduced:	BrOSN3H12C14 (1)
Stoich.:	ABCD3E12F14 (1)
Weight, g/mol:	253.088498
ΔH_f, kcal/mol:	35.88
Dipole, Da:	5.89
IP(EA), eV:	-8.48(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]-4-methylthiophen-3-amine

Drug info:

PubChemData

Smile

CC1=CSC(=C1N)C2=NC(=NO2)CC3=CC=CC=C3Br

DOS

IR

Vibrations