Geometry & MOs

Info

ID:	323694
PubChem CID:	126675756
Reduced:	O2N3C26H37 (1)
Stoich.:	A2B3C26D37 (1)
Weight, g/mol:	408.218621
ΔH_f, kcal/mol:	-50.6
Dipole, Da:	4.8
IP(EA), eV:	-8.47(0.01)
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]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)C2=CC=C(C=C2)COC3CCN(C3)C)N4CCN(CC4)CCO

DOS

IR

Vibrations