Geometry & MOs

Info

ID:	253104
PubChem CID:	103116065
Reduced:	O2N6C11H16 (1)
Stoich.:	A2B6C11D16 (1)
Weight, g/mol:	278.112738
ΔH_f, kcal/mol:	4.42
Dipole, Da:	4.84
IP(EA), eV:	-9.05(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(methylamino)-1-oxopropan-2-yl]-5-(1-methylimidazol-2-yl)triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CN1C=CN=C1C2=C(N=NN2CCN(C)C)C(=O)O

DOS

IR

Vibrations