Geometry & MOs

Info

ID:	207872
PubChem CID:	80464722
Reduced:	O2N3C9H15 (1)
Stoich.:	A2B3C9D15 (1)
Weight, g/mol:	229.121512
ΔH_f, kcal/mol:	-5.96
Dipole, Da:	1.23
IP(EA), eV:	-9.69(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(1-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine

Drug info:

PubChemData

Smile

CC1(CC1)C2=NOC(=N2)COCCN

DOS

IR

Vibrations