Geometry & MOs

Info

ID:	252700
PubChem CID:	103113409
Reduced:	ON3C17H29 (1)
Stoich.:	AB3C17D29 (1)
Weight, g/mol:	293.148789
ΔH_f, kcal/mol:	-64.47
Dipole, Da:	5.61
IP(EA), eV:	-8.2(0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-propyl-1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCN(C)C(=O)C(C)N1C(=CC2=C1CC(CC2N)(C)C)C

DOS

IR

Vibrations