Geometry & MOs

Info

ID:	253486
PubChem CID:	103118719
Reduced:	N5C11H11 (1)
Stoich.:	A5B11C11 (1)
Weight, g/mol:	270.107653
ΔH_f, kcal/mol:	108.76
Dipole, Da:	2.93
IP(EA), eV:	-8.19(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-aminoethyl)-1-[2-(methylcarbamoylamino)-2-oxoethyl]triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CN1C(=CC(=N1)C2=C3C=CC=CN3N=C2)N

DOS

IR

Vibrations