Geometry & MOs

Info

ID:	252959
PubChem CID:	103115169
Reduced:	O2N5C10H13 (1)
Stoich.:	A2B5C10D13 (1)
Weight, g/mol:	277.117489
ΔH_f, kcal/mol:	-2.99
Dipole, Da:	5.6
IP(EA), eV:	-9.64(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-hydroxycyclopentyl)-5-(1-methylpyrazol-4-yl)triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)N1C(=C(N=N1)C(=O)O)C2=CN(N=C2)C

DOS

IR

Vibrations