Geometry & MOs

Info

ID:	161415
PubChem CID:	57391602
Reduced:	N2F3O3C17H19 (1)
Stoich.:	A2B3C3D17E19 (1)
Weight, g/mol:	337.115045
ΔH_f, kcal/mol:	-246.02
Dipole, Da:	9.78
IP(EA), eV:	-9.73(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-propyl-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine

Drug info:

PubChemData

Smile

CC1(CN(C(=O)[C@@H]1OC2=CC(=C(C=C2)C#N)C(F)(F)F)CCCO)C

DOS

IR

Vibrations