Geometry & MOs

Info

ID:	251874
PubChem CID:	103107508
Reduced:	O2N5C13H13 (1)
Stoich.:	A2B5C13D13 (1)
Weight, g/mol:	294.107653
ΔH_f, kcal/mol:	26.65
Dipole, Da:	7.55
IP(EA), eV:	-9.42(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-[2-oxo-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)amino]ethyl]triazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1=CN2C=C(N=C2C=C1)CN3C=C(N=N3)C(=O)OC

DOS

IR

Vibrations