Geometry & MOs

Info

ID:	292377
PubChem CID:	114917891
Reduced:	Cl2O2N3C14H17 (1)
Stoich.:	A2B2C3D14E17 (1)
Weight, g/mol:	270.122909
ΔH_f, kcal/mol:	-81.85
Dipole, Da:	6.67
IP(EA), eV:	-9.71(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-phenyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine

Drug info:

PubChemData

Smile

CCNC(=O)C1CCN(CC1)C(=O)C2=CC(=NC=C2Cl)Cl

DOS

IR

Vibrations