Geometry & MOs

Info

ID:	276363
PubChem CID:	103822488
Reduced:	NOC4H5 (3)
Stoich.:	ABC4D5 (3)
Weight, g/mol:	181.121512
ΔH_f, kcal/mol:	-21.84
Dipole, Da:	7.84
IP(EA), eV:	-8.41(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@@H](C1=N/C(=C/2\C=CC(=O)C(=C2)OC)/NO1)N

DOS

IR

Vibrations