Geometry & MOs

Info

ID:	323993
PubChem CID:	126676733
Reduced:	FN2O4C17H17 (1)
Stoich.:	AB2C4D17E17 (1)
Weight, g/mol:	480.238608
ΔH_f, kcal/mol:	-184.7
Dipole, Da:	4.28
IP(EA), eV:	-9.58(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[[1-[[3-(3-piperidin-4-ylphenoxy)phenyl]methyl]pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)F)CN2C=C(C=C(C2=O)C(=O)NC)C(=O)OC

DOS

IR

Vibrations