Geometry & MOs

Info

ID:	253438
PubChem CID:	103118433
Reduced:	O2N5C13H15 (1)
Stoich.:	A2B5C13D15 (1)
Weight, g/mol:	297.18009
ΔH_f, kcal/mol:	25.72
Dipole, Da:	2.9
IP(EA), eV:	-9.5(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-(2-aminoethyl)-1-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]triazole-4-carboxylate

Drug info:

PubChemData

Smile

CC\1CN(CC/C1=N\O)C(=O)C2=C3C=NC=CN3N=C2

DOS

IR

Vibrations