Geometry & MOs

Info

ID:	265834
PubChem CID:	103551463
Reduced:	NF2O4H11C14 (1)
Stoich.:	AB2C4D11E14 (1)
Weight, g/mol:	235.132077
ΔH_f, kcal/mol:	-238.28
Dipole, Da:	6.36
IP(EA), eV:	-10.25(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)cyclopentane-1-carboxylic acid

Drug info:

PubChemData

Smile

C1CC2CC1C(=O)N(C2=O)C3=CC(=C(C=C3C(=O)O)F)F

DOS

IR

Vibrations