Geometry & MOs

Info

ID:	251925
PubChem CID:	103107898
Reduced:	O4N5C8H11 (1)
Stoich.:	A4B5C8D11 (1)
Weight, g/mol:	279.096754
ΔH_f, kcal/mol:	-113.68
Dipole, Da:	6.57
IP(EA), eV:	-10.62(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]triazole-4-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=CN(N=N1)CCC(=O)NC(=O)N

DOS

IR

Vibrations