Geometry & MOs

Info

ID:	150562
PubChem CID:	53790255
Reduced:	N2O3C22H24 (1)
Stoich.:	A2B3C22D24 (1)
Weight, g/mol:	421.236542
ΔH_f, kcal/mol:	-55.82
Dipole, Da:	3.6
IP(EA), eV:	-8.46(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2S)-2-[(1-benzyl-2,3-dihydroindol-6-yl)carbamoyl]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

C1CCN2CCC(CC2C1)C3=COC4=C3C=C(C=C4)NC(=O)C5=CC=CO5

DOS

IR

Vibrations