Geometry & MOs

Info

ID:	435174
PubChem CID:	135183187
Reduced:	ON6C10H18 (1)
Stoich.:	AB6C10D18 (1)
Weight, g/mol:	523.25834
ΔH_f, kcal/mol:	14.08
Dipole, Da:	3.61
IP(EA), eV:	-9.26(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[2-[3-acetyl-5-(pyridin-3-ylamino)indol-1-yl]acetyl]-N-(3-phenylpropyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC=NC1=C(N=CN1CC(C)OCN)C(=N)N

DOS

IR

Vibrations