Geometry & MOs

Info

ID:	278005
PubChem CID:	103832630
Reduced:	ON3C10H17 (1)
Stoich.:	AB3C10D17 (1)
Weight, g/mol:	255.137162
ΔH_f, kcal/mol:	17.38
Dipole, Da:	3.53
IP(EA), eV:	-9.91(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(cyclopropylmethyl)-5-[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CC(C)[C@@H](C1=NC(=NO1)CC2CC2)N

DOS

IR

Vibrations