Geometry & MOs

Info

ID:	197222
PubChem CID:	78938950
Reduced:	NF2O4H11C14 (1)
Stoich.:	AB2C4D11E14 (1)
Weight, g/mol:	270.093918
ΔH_f, kcal/mol:	-138.59
Dipole, Da:	5.15
IP(EA), eV:	-10.16(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)phenyl]ethanamine

Drug info:

PubChemData

Smile

C[C@@H](C1=C(C=CC(=C1)F)OC2=CC(=C(C=C2)[N+](=O)[O-])F)O

DOS

IR

Vibrations