Geometry & MOs

Info

ID:	229289
PubChem CID:	87567334
Reduced:	NF2C4H6 (2)
Stoich.:	AB2C4D6 (2)
Weight, g/mol:	480.139818
ΔH_f, kcal/mol:	-183.94
Dipole, Da:	3.71
IP(EA), eV:	-8.72(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[(E)-[1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-4-sulfanylpiperidin-3-ylidene]methyl]triazol-2-yl]propanoic acid;hydrochloride

Drug info:

PubChemData

Smile

CCCN1CN(C=C1)C(C(F)F)(F)F

DOS

IR

Vibrations