Geometry & MOs

Info

ID:	208042
PubChem CID:	80483937
Reduced:	NC4H7 (3)
Stoich.:	AB4C7 (3)
Weight, g/mol:	255.137162
ΔH_f, kcal/mol:	28.36
Dipole, Da:	3.42
IP(EA), eV:	-8.93(0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCNC(CC1CC1)CC2=NC=CN2C

DOS

IR

Vibrations