Geometry & MOs

Info

ID:	324178
PubChem CID:	126677080
Reduced:	OSC18H22 (1)
Stoich.:	ABC18D22 (1)
Weight, g/mol:	404.207307
ΔH_f, kcal/mol:	-15.15
Dipole, Da:	2.39
IP(EA), eV:	-8.24(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)C1=C(C=CC(=C1)SC)OCC2=CC=CC=C2

DOS

IR

Vibrations