Geometry & MOs

Info

ID:	207313
PubChem CID:	80374762
Reduced:	FO3N4C13H13 (1)
Stoich.:	AB3C4D13E13 (1)
Weight, g/mol:	294.169191
ΔH_f, kcal/mol:	-108.79
Dipole, Da:	3.42
IP(EA), eV:	-9.44(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1-[(5-propyl-1H-1,2,4-triazole-3-carbonyl)amino]cyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

CCCC1=NC(=NN1)C(=O)NC2=C(C=C(C=C2)F)C(=O)O

DOS

IR

Vibrations