Geometry & MOs

Info

ID:	313190
PubChem CID:	126612459
Reduced:	ClF2O2N4H15C17 (1)
Stoich.:	AB2C2D4E15F17 (1)
Weight, g/mol:	327.133139
ΔH_f, kcal/mol:	-87.53
Dipole, Da:	4.66
IP(EA), eV:	-9.78(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(3-hydroxytriazole-4-carbonyl)-2,3-dihydroindol-6-yl]piperidin-2-one

Drug info:

PubChemData

Smile

CC(CN1C=NC=N1)(C2=C(N=C(C=C2)OC3=CC=C(C=C3)C(F)F)Cl)O

DOS

IR

Vibrations