Geometry & MOs

Info

ID:	414801
PubChem CID:	135087764
Reduced:	O2N6C19H22 (1)
Stoich.:	A2B6C19D22 (1)
Weight, g/mol:	340.189926
ΔH_f, kcal/mol:	6.45
Dipole, Da:	9.18
IP(EA), eV:	-8.49(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dihydroindol-1-yl)-2-[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C3(CCN(CC3)C4=NC(=NC5=C4NC=N5)N)OCC2

DOS

IR

Vibrations