Geometry & MOs

Info

ID:	278004
PubChem CID:	103832624
Reduced:	BrOSN3H12C14 (1)
Stoich.:	ABCD3E12F14 (1)
Weight, g/mol:	195.137162
ΔH_f, kcal/mol:	85.35
Dipole, Da:	0.53
IP(EA), eV:	-9.54(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C[C@H](C2=NC(=NO2)C3=CC=C(S3)Br)N

DOS

IR

Vibrations