Geometry & MOs

Info

ID:	162848
PubChem CID:	57578078
Reduced:	SO3N4C62H62 (1)
Stoich.:	AB3C4D62E62 (1)
Weight, g/mol:	229.059974
ΔH_f, kcal/mol:	48.81
Dipole, Da:	4.65
IP(EA), eV:	-7.97(-1.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-pyridin-2-yl-7H-pyrazolo[5,1-c][1,2,4]triazole-6-carboxylic acid

Drug info:

Smile

CCCCC1(C2=CC=CC=C2C3=C1C=C(C=C3)N(C4=CC=C(C=C4)C5=CC=C(S5)/C=C\6/C(=NN(C6=O)C7=CC=CC=N7)C(=O)O)C8=CC9=C(C=C8)C1=CC=CC=C1C9(CCCC)CCCC)CCCC

DOS

IR

Vibrations