Geometry & MOs

Info

ID:	323696
PubChem CID:	126675758
Reduced:	SN4O4C27H28 (1)
Stoich.:	AB4C4D27E28 (1)
Weight, g/mol:	406.202971
ΔH_f, kcal/mol:	-73.63
Dipole, Da:	3.21
IP(EA), eV:	-9.1(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[[1-[[4-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methyl]pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=CC=CC(=C1)C2=CC3=C(C=C2)C=C(N3)C(=O)NC4(CCCCC4)C(=O)NC5(CC5)C#N

DOS

IR

Vibrations