Geometry & MOs

Info

ID:	418972
PubChem CID:	135107237
Reduced:	ClO3N5C20H24 (1)
Stoich.:	AB3C5D20E24 (1)
Weight, g/mol:	337.179027
ΔH_f, kcal/mol:	-70.74
Dipole, Da:	7.79
IP(EA), eV:	-9.46(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dihydroindol-1-yl)-2-[(3R,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CC2CN(C1)C(=O)C3=C(C=C(C=C3)Cl)OCCCN4C=C(CCC(=O)N2)N=N4

DOS

IR

Vibrations