Geometry & MOs

Info

ID:	207269
PubChem CID:	80368543
Reduced:	ON5C9H15 (1)
Stoich.:	AB5C9D15 (1)
Weight, g/mol:	275.101839
ΔH_f, kcal/mol:	-1.18
Dipole, Da:	6.95
IP(EA), eV:	-9.06(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(5-propan-2-yl-1H-1,2,4-triazole-3-carbonyl)amino]pyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=NC(=NN1)C(=O)NC2CCNCC2

DOS

IR

Vibrations