Geometry & MOs

Info

ID:	252949
PubChem CID:	103115103
Reduced:	O2N7H11C12 (1)
Stoich.:	A2B7C11D12 (1)
Weight, g/mol:	292.128388
ΔH_f, kcal/mol:	63.14
Dipole, Da:	11.3
IP(EA), eV:	-9.6(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(ethylamino)-3-oxopropyl]-5-(1-methylpyrazol-4-yl)triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2=C(N=NN2CC3=NC=CC=N3)C(=O)O

DOS

IR

Vibrations